6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C13H15ClN4 — CID 63730091

IUPAC6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCc1cccnc1
InChIInChI=1S/C13H15ClN4/c1-2-4-11-12(14)17-9-18-13(11)16-8-10-5-3-6-15-7-10/h3,5-7,9H,2,4,8H2,1H3,(H,16,17,18)
InChIKeyHEWRYPSCVNOZPQ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.09
Rot. Bonds5

About 6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 63730091) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID63730091
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCc1cccnc1
InChIInChI=1S/C13H15ClN4/c1-2-4-11-12(14)17-9-18-13(11)16-8-10-5-3-6-15-7-10/h3,5-7,9H,2,4,8H2,1H3,(H,16,17,18)
InChIKeyHEWRYPSCVNOZPQ-UHFFFAOYSA-N
XLogP3.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63736451
6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-5-propylpyrimidin-4-amine
CID 106193512
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201
6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
CID 63729687
5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80771465
4-N,4-N-dimethyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542727
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542701
N-(1,3-benzodioxol-4-ylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 106194190
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80788386

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 63730091) is 6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is CCCc1c(Cl)ncnc1NCc1cccnc1.
What is the InChIKey of 6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is HEWRYPSCVNOZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-4-11-12(14)17-9-18-13(11)16-8-10-5-3-6-15-7-10/h3,5-7,9H,2,4,8H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 262.74 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 63730091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).