5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine

C12H19ClN4O — CID 114115361

IUPAC5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)C2CCOCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-8(9-3-5-18-6-4-9)16-11-10(13)7-15-12(14-2)17-11/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyDKSCMQCLRIDBKM-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.40
Rot. Bonds4

About 5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine

5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 114115361) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID114115361
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)C2CCOCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-8(9-3-5-18-6-4-9)16-11-10(13)7-15-12(14-2)17-11/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyDKSCMQCLRIDBKM-UHFFFAOYSA-N
XLogP2.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
CID 103826213
5-chloro-2-N-[4-(4-iodopiperazin-1-yl)-2-methoxyphenyl]-4-N-[(1R)-1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine
CID 166976294
5-chloro-2-N-[4-(1-methylpiperidin-4-yl)-3-propan-2-yloxyphenyl]-4-N-[(1R)-1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine
CID 162732548
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80778757
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
6-chloro-N-[1-(oxan-4-yl)ethyl]pyrazin-2-amine
CID 103768470
5-chloro-6-methyl-N-[1-(oxan-4-yl)ethyl]pyridin-2-amine
CID 123747453
5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80780925
5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80807513
3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 102760091
2-N,5-dimethyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780776
5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80844103

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine (CID 114115361) is 5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine is CNc1ncc(Cl)c(NC(C)C2CCOCC2)n1.
What is the InChIKey of 5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is DKSCMQCLRIDBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8(9-3-5-18-6-4-9)16-11-10(13)7-15-12(14-2)17-11/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine?
5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 270.76 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114115361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).