6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine

C15H19ClN4 — CID 114957215

IUPAC6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2cnccc2C)n1
InChIInChI=1S/C15H19ClN4/c1-4-5-13-19-14(16)11(3)15(20-13)18-9-12-8-17-7-6-10(12)2/h6-8H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyZRDOXIZHIWNNIQ-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.71
Rot. Bonds5

About 6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine

6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine (PubChem CID 114957215) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine
PubChem CID114957215
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2cnccc2C)n1
InChIInChI=1S/C15H19ClN4/c1-4-5-13-19-14(16)11(3)15(20-13)18-9-12-8-17-7-6-10(12)2/h6-8H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyZRDOXIZHIWNNIQ-UHFFFAOYSA-N
XLogP3.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 114701542
2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114957898
3,5-dichloro-2-N-ethyl-6-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760189
6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 114126490
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80971470
6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194545
6-hydrazinyl-2,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 114958033
N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80978253
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80717013
6-chloro-5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propylpyrimidin-4-amine
CID 80971966
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine (CID 114957215) is 6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCc2cnccc2C)n1.
What is the InChIKey of 6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine?
The InChIKey is ZRDOXIZHIWNNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-4-5-13-19-14(16)11(3)15(20-13)18-9-12-8-17-7-6-10(12)2/h6-8H,4-5,9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine?
6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine has a molecular weight of 290.80 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 114957215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).