4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one

C24H30N6O3 — CID 69394992

IUPAC4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1ncc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)c[nH]1
InChIInChI=1S/C24H30N6O3/c31-23-21(25-12-16-8-10-33-11-9-16)28-20-7-6-19(18-13-26-24(32)27-14-18)29-22(20)30(23)15-17-4-2-1-3-5-17/h6-7,13-14,16-17H,1-5,8-12,15H2,(H,25,28)(H,26,27,32)
InChIKeyZDADDBJGHVJHSJ-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.96
Rot. Bonds6

About 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one

4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 69394992) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one
PubChem CID69394992
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1ncc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)c[nH]1
InChIInChI=1S/C24H30N6O3/c31-23-21(25-12-16-8-10-33-11-9-16)28-20-7-6-19(18-13-26-24(32)27-14-18)29-22(20)30(23)15-17-4-2-1-3-5-17/h6-7,13-14,16-17H,1-5,8-12,15H2,(H,25,28)(H,26,27,32)
InChIKeyZDADDBJGHVJHSJ-UHFFFAOYSA-N
XLogP2.96
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one (CID 69394992) is 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one is O=c1ncc(-c2ccc3nc(NCC4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)c[nH]1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZDADDBJGHVJHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c31-23-21(25-12-16-8-10-33-11-9-16)28-20-7-6-19(18-13-26-24(32)27-14-18)29-22(20)30(23)15-17-4-2-1-3-5-17/h6-7,13-14,16-17H,1-5,8-12,15H2,(H,25,28)(H,26,27,32).
What are the key properties of 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one?
4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 450.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-(oxan-4-ylmethylamino)-6-(2-oxo-1H-pyrimidin-5-yl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 69394992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).