5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine

C16H17N5O — CID 14570319

IUPAC5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(C)c2ccc(Cc3cnc(N)nc3N)cc2n1
InChIInChI=1S/C16H17N5O/c1-9-5-14(22-2)20-13-7-10(3-4-12(9)13)6-11-8-19-16(18)21-15(11)17/h3-5,7-8H,6H2,1-2H3,(H4,17,18,19,21)
InChIKeyKTKIRQFPHXUYGX-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.10
Rot. Bonds3

About 5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine

5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 14570319) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine
PubChem CID14570319
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(C)c2ccc(Cc3cnc(N)nc3N)cc2n1
InChIInChI=1S/C16H17N5O/c1-9-5-14(22-2)20-13-7-10(3-4-12(9)13)6-11-8-19-16(18)21-15(11)17/h3-5,7-8H,6H2,1-2H3,(H4,17,18,19,21)
InChIKeyKTKIRQFPHXUYGX-UHFFFAOYSA-N
XLogP2.10
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 6481091
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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine (CID 14570319) is 5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine is COc1cc(C)c2ccc(Cc3cnc(N)nc3N)cc2n1.
What is the InChIKey of 5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KTKIRQFPHXUYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-9-5-14(22-2)20-13-7-10(3-4-12(9)13)6-11-8-19-16(18)21-15(11)17/h3-5,7-8H,6H2,1-2H3,(H4,17,18,19,21).
What are the key properties of 5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine?
5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 295.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-methylquinolin-7-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14570319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).