2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C16H23N5O — CID 118146891

IUPAC2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCC(N)CC3)nc21
InChIInChI=1S/C16H23N5O/c1-10(2)21-14(22)8-3-11-9-18-16(20-15(11)21)19-13-6-4-12(17)5-7-13/h3,8-10,12-13H,4-7,17H2,1-2H3,(H,18,19,20)
InChIKeyVHNVLLBWEGOZMB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.05
Rot. Bonds3

About 2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 118146891) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID118146891
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCC(N)CC3)nc21
InChIInChI=1S/C16H23N5O/c1-10(2)21-14(22)8-3-11-9-18-16(20-15(11)21)19-13-6-4-12(17)5-7-13/h3,8-10,12-13H,4-7,17H2,1-2H3,(H,18,19,20)
InChIKeyVHNVLLBWEGOZMB-UHFFFAOYSA-N
XLogP2.05
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 118146891) is 2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)ccc2cnc(NC3CCC(N)CC3)nc21.
What is the InChIKey of 2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VHNVLLBWEGOZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10(2)21-14(22)8-3-11-9-18-16(20-15(11)21)19-13-6-4-12(17)5-7-13/h3,8-10,12-13H,4-7,17H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 301.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118146891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).