4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine

C13H22ClN5 — CID 80833659

IUPAC4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine
SMILESCCC(C)N1CCN(c2nc(NC)ncc2Cl)CC1
InChIInChI=1S/C13H22ClN5/c1-4-10(2)18-5-7-19(8-6-18)12-11(14)9-16-13(15-3)17-12/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeySUYSKWIZNKMPDE-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.09
Rot. Bonds4

About 4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine

4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine (PubChem CID 80833659) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine
PubChem CID80833659
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine
SMILESCCC(C)N1CCN(c2nc(NC)ncc2Cl)CC1
InChIInChI=1S/C13H22ClN5/c1-4-10(2)18-5-7-19(8-6-18)12-11(14)9-16-13(15-3)17-12/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeySUYSKWIZNKMPDE-UHFFFAOYSA-N
XLogP2.09
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655
5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836914
5-chloro-N-methyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-2-amine
CID 80804460
5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 176692044
5-chloro-N-methyl-4-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-2-amine
CID 80834036
5-chloro-N-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80847602
1-butan-2-yl-4-[3-chloro-5-(chloromethyl)-2-pyridinyl]piperazine
CID 55116917
4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80796160
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80854578
5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
CID 80828943
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 113336405
5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836911

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine (CID 80833659) is 4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine is CCC(C)N1CCN(c2nc(NC)ncc2Cl)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine?
The InChIKey is SUYSKWIZNKMPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-4-10(2)18-5-7-19(8-6-18)12-11(14)9-16-13(15-3)17-12/h9-10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine?
4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine has a molecular weight of 283.81 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80833659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).