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

C11H12ClN5 — CID 80781987

IUPAC5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1Cl)c1ccncc1
InChIInChI=1S/C11H12ClN5/c1-7(8-2-4-14-5-3-8)16-10-9(12)6-15-11(13)17-10/h2-7H,1H3,(H3,13,15,16,17)
InChIKeyCTVILPXCQYKMOL-UHFFFAOYSA-N
MW249.71 g/mol
LogP2.28
Rot. Bonds3

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

5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80781987) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is 5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID80781987
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC Name5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1Cl)c1ccncc1
InChIInChI=1S/C11H12ClN5/c1-7(8-2-4-14-5-3-8)16-10-9(12)6-15-11(13)17-10/h2-7H,1H3,(H3,13,15,16,17)
InChIKeyCTVILPXCQYKMOL-UHFFFAOYSA-N
XLogP2.28
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
Amprolium ion
CID 2178
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
US9205085, Msx-197
CID 49857485
US9205085, Msx-222
CID 49857486

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 80781987) is 5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CC(Nc1nc(N)ncc1Cl)c1ccncc1.
What is the InChIKey of 5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is CTVILPXCQYKMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c1-7(8-2-4-14-5-3-8)16-10-9(12)6-15-11(13)17-10/h2-7H,1H3,(H3,13,15,16,17).
What are the key properties of 5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 249.71 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80781987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).