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

C22H25N7O2 — CID 118055026

IUPACN-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3)CCO4)CC2)ncn1
InChIInChI=1S/C22H25N7O2/c1-30-20-13-19(24-15-25-20)28-9-7-16(8-10-28)26-22-23-14-18-21(27-22)29(11-12-31-18)17-5-3-2-4-6-17/h2-6,13-16H,7-12H2,1H3,(H,23,26,27)
InChIKeyLYBOMLYWCBCBSQ-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.89
Rot. Bonds5

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

N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118055026) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118055026
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3)CCO4)CC2)ncn1
InChIInChI=1S/C22H25N7O2/c1-30-20-13-19(24-15-25-20)28-9-7-16(8-10-28)26-22-23-14-18-21(27-22)29(11-12-31-18)17-5-3-2-4-6-17/h2-6,13-16H,7-12H2,1H3,(H,23,26,27)
InChIKeyLYBOMLYWCBCBSQ-UHFFFAOYSA-N
XLogP2.89
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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
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
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-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 171993839
N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine
CID 139003976
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888273
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888085
8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-7-(3,4,5-trifluorophenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118372943
4-methoxy-6-(4-pyridin-3-yloxypiperidin-1-yl)pyrimidine
CID 50962504
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118055026) is N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3)CCO4)CC2)ncn1.
What is the InChIKey of N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is LYBOMLYWCBCBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-30-20-13-19(24-15-25-20)28-9-7-16(8-10-28)26-22-23-14-18-21(27-22)29(11-12-31-18)17-5-3-2-4-6-17/h2-6,13-16H,7-12H2,1H3,(H,23,26,27).
What are the key properties of N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 419.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118055026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).