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

C24H28N6O2 — CID 118049905

IUPACN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3C)CCO4)CC2)ccn1
InChIInChI=1S/C24H28N6O2/c1-17-5-3-4-6-20(17)30-13-14-32-21-16-26-24(28-23(21)30)27-18-8-11-29(12-9-18)19-7-10-25-22(15-19)31-2/h3-7,10,15-16,18H,8-9,11-14H2,1-2H3,(H,26,27,28)
InChIKeyZDQMWYMKIJGJNB-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.80
Rot. Bonds5

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

N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118049905) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118049905
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3C)CCO4)CC2)ccn1
InChIInChI=1S/C24H28N6O2/c1-17-5-3-4-6-20(17)30-13-14-32-21-16-26-24(28-23(21)30)27-18-8-11-29(12-9-18)19-7-10-25-22(15-19)31-2/h3-7,10,15-16,18H,8-9,11-14H2,1-2H3,(H,26,27,28)
InChIKeyZDQMWYMKIJGJNB-UHFFFAOYSA-N
XLogP3.80
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118049905) is N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3C)CCO4)CC2)ccn1.
What is the InChIKey of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is ZDQMWYMKIJGJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17-5-3-4-6-20(17)30-13-14-32-21-16-26-24(28-23(21)30)27-18-8-11-29(12-9-18)19-7-10-25-22(15-19)31-2/h3-7,10,15-16,18H,8-9,11-14H2,1-2H3,(H,26,27,28).
What are the key properties of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 432.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118049905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).