5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine

C11H12ClN5 — CID 114049758

IUPAC5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1ncnc(N)c1Cl)c1cccnc1
InChIInChI=1S/C11H12ClN5/c1-7(8-3-2-4-14-5-8)17-11-9(12)10(13)15-6-16-11/h2-7H,1H3,(H3,13,15,16,17)
InChIKeyXGQTWUPIGBECBI-UHFFFAOYSA-N
MW249.71 g/mol
LogP2.28
Rot. Bonds3

About 5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine

5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 114049758) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is 5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID114049758
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC Name5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1ncnc(N)c1Cl)c1cccnc1
InChIInChI=1S/C11H12ClN5/c1-7(8-3-2-4-14-5-8)17-11-9(12)10(13)15-6-16-11/h2-7H,1H3,(H3,13,15,16,17)
InChIKeyXGQTWUPIGBECBI-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

5-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80779879
5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 146091234
5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 106811735
N-[(1R)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 94878018
6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907034
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine
CID 129479354
3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine
CID 81036306
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-3-carboxylic acid
CID 81439571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine (CID 114049758) is 5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine is CC(Nc1ncnc(N)c1Cl)c1cccnc1.
What is the InChIKey of 5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is XGQTWUPIGBECBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c1-7(8-3-2-4-14-5-8)17-11-9(12)10(13)15-6-16-11/h2-7H,1H3,(H3,13,15,16,17).
What are the key properties of 5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-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-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114049758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).