acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine

C28H35ClN10O2 — CID 159014032

IUPACacetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine
SMILESCC(=O)O.Cc1cnc(Cl)nc1NC1CC1.Cc1cnc(Nc2cccnc2)nc1NC1CC1.Nc1cccnc1
InChIInChI=1S/C13H15N5.C8H10ClN3.C5H6N2.C2H4O2/c1-9-7-15-13(17-11-3-2-6-14-8-11)18-12(9)16-10-4-5-10;1-5-4-10-8(9)12-7(5)11-6-2-3-6;6-5-2-1-3-7-4-5;1-2(3)4/h2-3,6-8,10H,4-5H2,1H3,(H2,15,16,17,18);4,6H,2-3H2,1H3,(H,10,11,12);1-4H,6H2;1H3,(H,3,4)
InChIKeySSAFFDTYGKHYRW-UHFFFAOYSA-N
MW579.11 g/mol
LogP5.27
Rot. Bonds6

About acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine

acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine (PubChem CID 159014032) has the molecular formula C28H35ClN10O2 and a molecular weight of 579.11 g/mol. Its IUPAC name is acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine.

Molecular Properties

Compound Nameacetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine
PubChem CID159014032
Molecular FormulaC28H35ClN10O2
Molecular Weight579.11 g/mol
Exact Mass578.26
IUPAC Nameacetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine
SMILESCC(=O)O.Cc1cnc(Cl)nc1NC1CC1.Cc1cnc(Nc2cccnc2)nc1NC1CC1.Nc1cccnc1
InChIInChI=1S/C13H15N5.C8H10ClN3.C5H6N2.C2H4O2/c1-9-7-15-13(17-11-3-2-6-14-8-11)18-12(9)16-10-4-5-10;1-5-4-10-8(9)12-7(5)11-6-2-3-6;6-5-2-1-3-7-4-5;1-2(3)4/h2-3,6-8,10H,4-5H2,1H3,(H2,15,16,17,18);4,6H,2-3H2,1H3,(H,10,11,12);1-4H,6H2;1H3,(H,3,4)
InChIKeySSAFFDTYGKHYRW-UHFFFAOYSA-N
XLogP5.27
TPSA176.75 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500579.11
LogP ≤ 55.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

US11697648, Example 252
CID 156511173
2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 117075579
Tert-butyl 3-((5-fluoro-2-((6-(4-methylpiperazin-1-yl)-pyridin-3-yl)amino)pyrimidin-4-yl)amino)piperidine-1-carboxylate
CID 71014821
2-pyridin-4-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-N-[6-(trifluoromethyl)pyridin-3-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine;2,2,2-trifluoroacetic acid
CID 87869586
[3-[[5-Fluoro-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174716617
4-N-[6-methyl-5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 175858909
5,6-dimethyl-N-(1-pyridin-4-ylazetidin-3-yl)-2-pyrimidin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 167953874
4-[6-[(8-Cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 18455529
4-[6-[(7-Oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 18455530
3-[[5-Cyclopropyl-2-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propanamide
CID 68624294
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 68624299
2-(4,7-Diazaspiro[2.5]octan-7-yl)pyridin-4-amine;2-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 68628841

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine?
The IUPAC name of acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine (CID 159014032) is acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine.
What is the SMILES notation for acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine?
The canonical SMILES for acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine is CC(=O)O.Cc1cnc(Cl)nc1NC1CC1.Cc1cnc(Nc2cccnc2)nc1NC1CC1.Nc1cccnc1.
What is the InChIKey of acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine?
The InChIKey is SSAFFDTYGKHYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5.C8H10ClN3.C5H6N2.C2H4O2/c1-9-7-15-13(17-11-3-2-6-14-8-11)18-12(9)16-10-4-5-10;1-5-4-10-8(9)12-7(5)11-6-2-3-6;6-5-2-1-3-7-4-5;1-2(3)4/h2-3,6-8,10H,4-5H2,1H3,(H2,15,16,17,18);4,6H,2-3H2,1H3,(H,10,11,12);1-4H,6H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine?
acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine has a molecular weight of 579.11 g/mol, XLogP of 5.27, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;4-N-cyclopropyl-5-methyl-2-N-pyridin-3-ylpyrimidine-2,4-diamine;pyridin-3-amine is sourced from PubChem (CID 159014032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).