8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C23H24ClN5O2 — CID 155556571

IUPAC8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCc1cc([C@@H]2CC[C@@H](Nc3ncc4c(n3)N(c3ccccc3Cl)CCO4)CO2)ccn1
InChIInChI=1S/C23H24ClN5O2/c1-15-12-16(8-9-25-15)20-7-6-17(14-31-20)27-23-26-13-21-22(28-23)29(10-11-30-21)19-5-3-2-4-18(19)24/h2-5,8-9,12-13,17,20H,6-7,10-11,14H2,1H3,(H,26,27,28)/t17-,20+/m1/s1
InChIKeyCPDNCFLPZBNZCX-XLIONFOSSA-N
MW437.93 g/mol
LogP4.70
Rot. Bonds4

About 8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 155556571) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID155556571
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCc1cc([C@@H]2CC[C@@H](Nc3ncc4c(n3)N(c3ccccc3Cl)CCO4)CO2)ccn1
InChIInChI=1S/C23H24ClN5O2/c1-15-12-16(8-9-25-15)20-7-6-17(14-31-20)27-23-26-13-21-22(28-23)29(10-11-30-21)19-5-3-2-4-18(19)24/h2-5,8-9,12-13,17,20H,6-7,10-11,14H2,1H3,(H,26,27,28)/t17-,20+/m1/s1
InChIKeyCPDNCFLPZBNZCX-XLIONFOSSA-N
XLogP4.70
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(Benzyloxy)methyl]-5-(4-{[(2-chloropyridin-4-yl)methyl]amino}phenyl)pyrimidine-2,4-diamine
CID 11339816
HG-9-91-01 derivative, 6
CID 121596783
4-N-butyl-5-(isoquinolin-1-ylmethoxy)pyrimidine-2,4-diamine
CID 70856100
4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine
CID 70856150
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
8-(4-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118050068
8-(2-chlorophenyl)-N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055004
N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055017
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-5-[5-(difluoromethoxy)pyrimidin-2-yl]oxypyrimidin-2-amine
CID 68325579
N-(2-chloro-4-morpholin-2-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 68325629
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 78320603
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(5-methoxy-4-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 78321237

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 155556571) is 8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is Cc1cc([C@@H]2CC[C@@H](Nc3ncc4c(n3)N(c3ccccc3Cl)CCO4)CO2)ccn1.
What is the InChIKey of 8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is CPDNCFLPZBNZCX-XLIONFOSSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-15-12-16(8-9-25-15)20-7-6-17(14-31-20)27-23-26-13-21-22(28-23)29(10-11-30-21)19-5-3-2-4-18(19)24/h2-5,8-9,12-13,17,20H,6-7,10-11,14H2,1H3,(H,26,27,28)/t17-,20+/m1/s1.
What are the key properties of 8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 437.93 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-N-[(3R,6S)-6-(2-methyl-4-pyridinyl)oxan-3-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 155556571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).