7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C21H24N4O2 — CID 66959241

IUPAC7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24N4O2/c1-13(2)23-19-18-17(22-12-25(3)20(18)26)11-16(24-19)14-5-7-15(8-6-14)21(27)9-4-10-21/h5-8,11-13,27H,4,9-10H2,1-3H3,(H,23,24)
InChIKeyDOIMRQUQLHEORQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.19
Rot. Bonds4

About 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959241) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959241
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H24N4O2/c1-13(2)23-19-18-17(22-12-25(3)20(18)26)11-16(24-19)14-5-7-15(8-6-14)21(27)9-4-10-21/h5-8,11-13,27H,4,9-10H2,1-3H3,(H,23,24)
InChIKeyDOIMRQUQLHEORQ-UHFFFAOYSA-N
XLogP3.19
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 66959241) is 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DOIMRQUQLHEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13(2)23-19-18-17(22-12-25(3)20(18)26)11-16(24-19)14-5-7-15(8-6-14)21(27)9-4-10-21/h5-8,11-13,27H,4,9-10H2,1-3H3,(H,23,24).
What are the key properties of 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-hydroxycyclobutyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).