5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine

C17H23N5O — CID 23323048

IUPAC5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c1N(C)CCC2C
InChIInChI=1S/C17H23N5O/c1-10-4-5-22(2)15-13(10)7-11(8-14(15)23-3)6-12-9-20-17(19)21-16(12)18/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21)
InChIKeyVFMMMIYNLXXETQ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.18
Rot. Bonds3

About 5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine

5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323048) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323048
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c1N(C)CCC2C
InChIInChI=1S/C17H23N5O/c1-10-4-5-22(2)15-13(10)7-11(8-14(15)23-3)6-12-9-20-17(19)21-16(12)18/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21)
InChIKeyVFMMMIYNLXXETQ-UHFFFAOYSA-N
XLogP2.18
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323048) is 5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc2c1N(C)CCC2C.
What is the InChIKey of 5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is VFMMMIYNLXXETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-10-4-5-22(2)15-13(10)7-11(8-14(15)23-3)6-12-9-20-17(19)21-16(12)18/h7-10H,4-6H2,1-3H3,(H4,18,19,20,21).
What are the key properties of 5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 313.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-1,4-dimethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).