6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine

C14H17ClN4 — CID 80953767

IUPAC6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC(C)c2cccnc2)n1
InChIInChI=1S/C14H17ClN4/c1-9(2)14-18-12(15)7-13(19-14)17-10(3)11-5-4-6-16-8-11/h4-10H,1-3H3,(H,17,18,19)
InChIKeyVZOSHMDGYIRNRR-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.82
Rot. Bonds4

About 6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine

6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine (PubChem CID 80953767) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
PubChem CID80953767
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC(C)c2cccnc2)n1
InChIInChI=1S/C14H17ClN4/c1-9(2)14-18-12(15)7-13(19-14)17-10(3)11-5-4-6-16-8-11/h4-10H,1-3H3,(H,17,18,19)
InChIKeyVZOSHMDGYIRNRR-UHFFFAOYSA-N
XLogP3.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968080
6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80953990
6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80545517
2-chloro-6-(1-pyridin-3-ylethylamino)pyridine-4-carboxylic acid
CID 43523832
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956022
6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80940280
6-N-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80967059
3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine
CID 81036306
6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 80953528
2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80960493
5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 43523794

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine (CID 80953767) is 6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine is CC(C)c1nc(Cl)cc(NC(C)c2cccnc2)n1.
What is the InChIKey of 6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
The InChIKey is VZOSHMDGYIRNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9(2)14-18-12(15)7-13(19-14)17-10(3)11-5-4-6-16-8-11/h4-10H,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine?
6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80953767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).