3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C23H29N5O2 — CID 66958767

IUPAC3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(CCN3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C23H29N5O2/c1-16(2)25-22-21-20(24-15-27(3)23(21)29)14-19(26-22)18-6-4-17(5-7-18)8-9-28-10-12-30-13-11-28/h4-7,14-16H,8-13H2,1-3H3,(H,25,26)
InChIKeyYDBCQMZZCYXRJA-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.69
Rot. Bonds6

About 3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958767) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958767
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(CCN3CCOCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C23H29N5O2/c1-16(2)25-22-21-20(24-15-27(3)23(21)29)14-19(26-22)18-6-4-17(5-7-18)8-9-28-10-12-30-13-11-28/h4-7,14-16H,8-13H2,1-3H3,(H,25,26)
InChIKeyYDBCQMZZCYXRJA-UHFFFAOYSA-N
XLogP2.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66958767) is 3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2ccc(CCN3CCOCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YDBCQMZZCYXRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16(2)25-22-21-20(24-15-27(3)23(21)29)14-19(26-22)18-6-4-17(5-7-18)8-9-28-10-12-30-13-11-28/h4-7,14-16H,8-13H2,1-3H3,(H,25,26).
What are the key properties of 3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 407.52 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-(2-morpholin-4-ylethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).