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8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C24H28N6O — CID 118054994

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3C)CCO4)CC2)ccn1
InChIInChI=1S/C24H28N6O/c1-17-5-3-4-6-21(17)30-13-14-31-22-16-26-24(28-23(22)30)27-19-8-11-29(12-9-19)20-7-10-25-18(2)15-20/h3-7,10,15-16,19H,8-9,11-14H2,1-2H3,(H,26,27,28)
InChIKeyAVIXSUVUAWRQRY-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.10
Rot. Bonds4

About 8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118054994) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118054994
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3C)CCO4)CC2)ccn1
InChIInChI=1S/C24H28N6O/c1-17-5-3-4-6-21(17)30-13-14-31-22-16-26-24(28-23(22)30)27-19-8-11-29(12-9-19)20-7-10-25-18(2)15-20/h3-7,10,15-16,19H,8-9,11-14H2,1-2H3,(H,26,27,28)
InChIKeyAVIXSUVUAWRQRY-UHFFFAOYSA-N
XLogP4.10
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118054994) is 8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is Cc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3C)CCO4)CC2)ccn1.
What is the InChIKey of 8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is AVIXSUVUAWRQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-17-5-3-4-6-21(17)30-13-14-31-22-16-26-24(28-23(22)30)27-19-8-11-29(12-9-19)20-7-10-25-18(2)15-20/h3-7,10,15-16,19H,8-9,11-14H2,1-2H3,(H,26,27,28).
What are the key properties of 8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 416.53 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylphenyl)-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118054994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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