5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C12H14ClN5 — CID 80780925

IUPAC5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)c2ccncc2)n1
InChIInChI=1S/C12H14ClN5/c1-8(9-3-5-15-6-4-9)17-11-10(13)7-16-12(14-2)18-11/h3-8H,1-2H3,(H2,14,16,17,18)
InChIKeyYWUNPHVULOPGSH-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.74
Rot. Bonds4

About 5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine

5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80780925) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID80780925
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)c2ccncc2)n1
InChIInChI=1S/C12H14ClN5/c1-8(9-3-5-15-6-4-9)17-11-10(13)7-16-12(14-2)18-11/h3-8H,1-2H3,(H2,14,16,17,18)
InChIKeyYWUNPHVULOPGSH-UHFFFAOYSA-N
XLogP2.74
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80781987
3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 43395999
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80778757
5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80807513
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
CID 80831177
2-N-ethyl-5-fluoro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80780843
5-chloro-2-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 80811720
5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80844103
5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
CID 80804226
5-chloro-2-N-methyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807609
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 80780925) is 5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CNc1ncc(Cl)c(NC(C)c2ccncc2)n1.
What is the InChIKey of 5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is YWUNPHVULOPGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-8(9-3-5-15-6-4-9)17-11-10(13)7-16-12(14-2)18-11/h3-8H,1-2H3,(H2,14,16,17,18).
What are the key properties of 5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
5-chloro-2-N-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 263.73 g/mol, XLogP of 2.74, 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-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80780925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).