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

C27H38N6O3 — CID 144921627

IUPACN-[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
SMILESCN1c2nc(NC3CCN(c4ccnc(OCC5CCC5)c4)CC3)ncc2OCC1C1CCOCC1
InChIInChI=1S/C27H38N6O3/c1-32-23(20-8-13-34-14-9-20)18-35-24-16-29-27(31-26(24)32)30-21-6-11-33(12-7-21)22-5-10-28-25(15-22)36-17-19-3-2-4-19/h5,10,15-16,19-21,23H,2-4,6-9,11-14,17-18H2,1H3,(H,29,30,31)
InChIKeyYEJLPLLQVJTXNV-UHFFFAOYSA-N
MW494.64 g/mol
LogP3.76
Rot. Bonds7

About 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

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 (PubChem CID 144921627) has the molecular formula C27H38N6O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID144921627
Molecular FormulaC27H38N6O3
Molecular Weight494.64 g/mol
Exact Mass494.30
IUPAC NameN-[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
SMILESCN1c2nc(NC3CCN(c4ccnc(OCC5CCC5)c4)CC3)ncc2OCC1C1CCOCC1
InChIInChI=1S/C27H38N6O3/c1-32-23(20-8-13-34-14-9-20)18-35-24-16-29-27(31-26(24)32)30-21-6-11-33(12-7-21)22-5-10-28-25(15-22)36-17-19-3-2-4-19/h5,10,15-16,19-21,23H,2-4,6-9,11-14,17-18H2,1H3,(H,29,30,31)
InChIKeyYEJLPLLQVJTXNV-UHFFFAOYSA-N
XLogP3.76
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055026
N-[(1S)-1-[4-[(3R)-1-[2-(cyclobutylmethoxy)-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668903
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-methyl-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 141014641
2-(oxan-4-ylmethoxy)pyridin-4-amine
CID 62381987
N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine
CID 71108050
7-[(3E)-hexa-1,3,5-trien-3-yl]-8-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144921650
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1c2nc(NC3CCN(c4ccnc(OCC5CCC5)c4)CC3)ncc2OCC1C1CCOCC1.
What is the InChIKey of 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?
The InChIKey is YEJLPLLQVJTXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O3/c1-32-23(20-8-13-34-14-9-20)18-35-24-16-29-27(31-26(24)32)30-21-6-11-33(12-7-21)22-5-10-28-25(15-22)36-17-19-3-2-4-19/h5,10,15-16,19-21,23H,2-4,6-9,11-14,17-18H2,1H3,(H,29,30,31).
What are the key properties of 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?
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 has a molecular weight of 494.64 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144921627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).