4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one

C15H18N4O2 — CID 162523782

IUPAC4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one
SMILESNc1nc(=O)n(C2CCOCC2)c2nc(C3CC3)ccc12
InChIInChI=1S/C15H18N4O2/c16-13-11-3-4-12(9-1-2-9)17-14(11)19(15(20)18-13)10-5-7-21-8-6-10/h3-4,9-10H,1-2,5-8H2,(H2,16,18,20)
InChIKeyJVPBJXLURWIQEN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.60
Rot. Bonds2

About 4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one

4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 162523782) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID162523782
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one
SMILESNc1nc(=O)n(C2CCOCC2)c2nc(C3CC3)ccc12
InChIInChI=1S/C15H18N4O2/c16-13-11-3-4-12(9-1-2-9)17-14(11)19(15(20)18-13)10-5-7-21-8-6-10/h3-4,9-10H,1-2,5-8H2,(H2,16,18,20)
InChIKeyJVPBJXLURWIQEN-UHFFFAOYSA-N
XLogP1.60
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-7-cyclopropyl-1-(2-hydroxycyclopentyl)pyrido[2,3-d]pyrimidin-2-one
CID 167528301
4-amino-1-(2-methyl-3-pyridinyl)-7-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-one
CID 162523594
4-amino-7-cyclopropyl-1-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-2-one
CID 162523776
4-amino-1-(2-chloro-3-fluorophenyl)-7-cyclopropylpyrido[2,3-d]pyrimidin-2-one
CID 162523896
6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
CID 156846964
2-chloro-6-(oxan-4-yl)pyridin-3-amine
CID 115028136
6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one
CID 126857652
4-amino-1-(oxan-4-yl)-3H-imidazo[4,5-c]pyridin-2-one
CID 168817897
2-chloro-6-cyclopropylpyridin-3-amine
CID 82597834
2-amino-6-bromo-4-methyl-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 59272731
2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 175812147
6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid
CID 118556049

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one (CID 162523782) is 4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one is Nc1nc(=O)n(C2CCOCC2)c2nc(C3CC3)ccc12.
What is the InChIKey of 4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is JVPBJXLURWIQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-13-11-3-4-12(9-1-2-9)17-14(11)19(15(20)18-13)10-5-7-21-8-6-10/h3-4,9-10H,1-2,5-8H2,(H2,16,18,20).
What are the key properties of 4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one?
4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 286.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-cyclopropyl-1-(oxan-4-yl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 162523782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).