1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one

C25H24N4O2 — CID 129160122

IUPAC1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
SMILESCc1ncc(-c2cc(=O)n(C)cc2C)c(OCC2C[C@H]2c2ccc3ccccc3n2)n1
InChIInChI=1S/C25H24N4O2/c1-15-13-29(3)24(30)11-19(15)21-12-26-16(2)27-25(21)31-14-18-10-20(18)23-9-8-17-6-4-5-7-22(17)28-23/h4-9,11-13,18,20H,10,14H2,1-3H3/t18?,20-/m1/s1
InChIKeyMHCKKOXXKKOVIW-ROPPNANJSA-N
MW412.49 g/mol
LogP4.19
Rot. Bonds5

About 1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one

1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one (PubChem CID 129160122) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
PubChem CID129160122
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
SMILESCc1ncc(-c2cc(=O)n(C)cc2C)c(OCC2C[C@H]2c2ccc3ccccc3n2)n1
InChIInChI=1S/C25H24N4O2/c1-15-13-29(3)24(30)11-19(15)21-12-26-16(2)27-25(21)31-14-18-10-20(18)23-9-8-17-6-4-5-7-22(17)28-23/h4-9,11-13,18,20H,10,14H2,1-3H3/t18?,20-/m1/s1
InChIKeyMHCKKOXXKKOVIW-ROPPNANJSA-N
XLogP4.19
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The IUPAC name of 1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one (CID 129160122) is 1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one.
What is the SMILES notation for 1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The canonical SMILES for 1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one is Cc1ncc(-c2cc(=O)n(C)cc2C)c(OCC2C[C@H]2c2ccc3ccccc3n2)n1.
What is the InChIKey of 1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The InChIKey is MHCKKOXXKKOVIW-ROPPNANJSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-15-13-29(3)24(30)11-19(15)21-12-26-16(2)27-25(21)31-14-18-10-20(18)23-9-8-17-6-4-5-7-22(17)28-23/h4-9,11-13,18,20H,10,14H2,1-3H3/t18?,20-/m1/s1.
What are the key properties of 1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one has a molecular weight of 412.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one is sourced from PubChem (CID 129160122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).