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

C23H26N6O2 — CID 118055002

IUPACN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3)CCO4)CC2)ccn1
InChIInChI=1S/C23H26N6O2/c1-30-21-15-19(7-10-24-21)28-11-8-17(9-12-28)26-23-25-16-20-22(27-23)29(13-14-31-20)18-5-3-2-4-6-18/h2-7,10,15-17H,8-9,11-14H2,1H3,(H,25,26,27)
InChIKeyXACONTOQPBZMQC-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.49
Rot. Bonds5

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

N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118055002) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118055002
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3)CCO4)CC2)ccn1
InChIInChI=1S/C23H26N6O2/c1-30-21-15-19(7-10-24-21)28-11-8-17(9-12-28)26-23-25-16-20-22(27-23)29(13-14-31-20)18-5-3-2-4-6-18/h2-7,10,15-17H,8-9,11-14H2,1H3,(H,25,26,27)
InChIKeyXACONTOQPBZMQC-UHFFFAOYSA-N
XLogP3.49
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
Bisanilinopyrimidine, 6f
CID 70702137
3-ethoxy-N-(6-methylpyridin-2-yl)-5-(pyridin-3-yloxy)pyridin-2-amine
CID 11381681
1-(4-ethoxyphenyl)-3-ethyl-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
CID 11675165
N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347174
4-(2-{4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}ethyl)-6-methoxypyrido[2,3-b]pyrazin-3(4H)-one
CID 24866867
N2-(3,5-dimorpholinophenyl)-N4-(3-methoxyphenyl)-N4-methylpyrimidine-2,4-diamine
CID 25014760
8-[2-[4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypteridin-7-one
CID 25024304
N2-(3,5-dimorpholinophenyl)-N4-(4-methoxypyridin-2-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645244
N2-(3,5-dimorpholinophenyl)-N4-(6-methoxypyridin-2-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645248
N2-(3,5-dimorpholinophenyl)-N4-(5-methoxypyridin-3-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645478
(3-Ethoxy-5-pyrimidin-5-yl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404946

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-phenyl-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-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118055002) is N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-phenyl-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-phenyl-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-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3)CCO4)CC2)ccn1.
What is the InChIKey of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is XACONTOQPBZMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-30-21-15-19(7-10-24-21)28-11-8-17(9-12-28)26-23-25-16-20-22(27-23)29(13-14-31-20)18-5-3-2-4-6-18/h2-7,10,15-17H,8-9,11-14H2,1H3,(H,25,26,27).
What are the key properties of N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 418.50 g/mol, XLogP of 3.49, 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-phenyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118055002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).