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

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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Related Compounds

8-(2-chlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055020
N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055026
N-[1-[2-(cyclobutylmethoxy)-4-pyridinyl]piperidin-4-yl]-8-methyl-7-(oxan-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 144921627
4-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,1'-cyclopentane]-2-amine
CID 118366513
N-[4-(2-methyl-4-pyridinyl)phenyl]-8-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118056273
7-(3,5-difluorophenyl)-8-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118372944
2-methyl-4-[4-(2-phenylethoxy)piperidin-1-yl]pyridine
CID 133464611
4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 59564767
8-[3,5-bis(trifluoromethyl)phenyl]-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 163923355
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 97139467
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97148569

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).