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

C15H19ClN4O — CID 80971470

IUPAC6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2ccc(OC)nc2)n1
InChIInChI=1S/C15H19ClN4O/c1-4-5-12-19-14(16)10(2)15(20-12)18-9-11-6-7-13(21-3)17-8-11/h6-8H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyLJZVCUTZHUGQCV-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.41
Rot. Bonds6

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

6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80971470) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80971470
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2ccc(OC)nc2)n1
InChIInChI=1S/C15H19ClN4O/c1-4-5-12-19-14(16)10(2)15(20-12)18-9-11-6-7-13(21-3)17-8-11/h6-8H,4-5,9H2,1-3H3,(H,18,19,20)
InChIKeyLJZVCUTZHUGQCV-UHFFFAOYSA-N
XLogP3.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
CID 79556339
6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80985315
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
4-N-[(6-methoxy-3-pyridinyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80831148
6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 114957215
6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194545
6-chloro-2-N-[(6-methoxy-3-pyridinyl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80809905
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 114993686
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321592

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine (CID 80971470) is 6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCc2ccc(OC)nc2)n1.
What is the InChIKey of 6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is LJZVCUTZHUGQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-4-5-12-19-14(16)10(2)15(20-12)18-9-11-6-7-13(21-3)17-8-11/h6-8H,4-5,9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 306.80 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80971470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).