5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

C19H29N5O — CID 143885421

IUPAC5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCC(C)Nc1ncc2c(N)cc(=O)n(C3CCCCC3)c2n1
InChIInChI=1S/C19H29N5O/c1-3-4-8-13(2)22-19-21-12-15-16(20)11-17(25)24(18(15)23-19)14-9-6-5-7-10-14/h11-14H,3-10,20H2,1-2H3,(H,21,22,23)
InChIKeyRXMWGCHERKTKRN-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.87
Rot. Bonds6

About 5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one

5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 143885421) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID143885421
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCC(C)Nc1ncc2c(N)cc(=O)n(C3CCCCC3)c2n1
InChIInChI=1S/C19H29N5O/c1-3-4-8-13(2)22-19-21-12-15-16(20)11-17(25)24(18(15)23-19)14-9-6-5-7-10-14/h11-14H,3-10,20H2,1-2H3,(H,21,22,23)
InChIKeyRXMWGCHERKTKRN-UHFFFAOYSA-N
XLogP3.87
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 143885421) is 5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is CCCCC(C)Nc1ncc2c(N)cc(=O)n(C3CCCCC3)c2n1.
What is the InChIKey of 5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RXMWGCHERKTKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-3-4-8-13(2)22-19-21-12-15-16(20)11-17(25)24(18(15)23-19)14-9-6-5-7-10-14/h11-14H,3-10,20H2,1-2H3,(H,21,22,23).
What are the key properties of 5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one?
5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 343.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 143885421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).