N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

C23H25ClN4O2 — CID 133274713

IUPACN-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1C1(CNc2cc(C)nc(-c3cccnc3)n2)CCOCC1
InChIInChI=1S/C23H25ClN4O2/c1-16-12-21(28-22(27-16)17-4-3-9-25-14-17)26-15-23(7-10-30-11-8-23)19-13-18(24)5-6-20(19)29-2/h3-6,9,12-14H,7-8,10-11,15H2,1-2H3,(H,26,27,28)
InChIKeyBFFOPUPDSCOUQO-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.67
Rot. Bonds6

About N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 133274713) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID133274713
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC NameN-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(Cl)cc1C1(CNc2cc(C)nc(-c3cccnc3)n2)CCOCC1
InChIInChI=1S/C23H25ClN4O2/c1-16-12-21(28-22(27-16)17-4-3-9-25-14-17)26-15-23(7-10-30-11-8-23)19-13-18(24)5-6-20(19)29-2/h3-6,9,12-14H,7-8,10-11,15H2,1-2H3,(H,26,27,28)
InChIKeyBFFOPUPDSCOUQO-UHFFFAOYSA-N
XLogP4.67
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133272534
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 133272789
N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine
CID 133468648
1-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111606322
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-7H-purin-6-amine
CID 47984102
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 47959613
1-[2-(5-chloro-2-methoxyphenyl)-7-oxaspiro[3.5]nonan-2-yl]-N-methylmethanamine
CID 65006264
1-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111136373
1-[4-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]-3-nitrophenyl]ethanone
CID 133274691
N-[(3R,4S)-3-methoxyoxan-4-yl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 131916302
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133272777
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-cyanobutane-1-sulfonamide
CID 56586785

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 133274713) is N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is COc1ccc(Cl)cc1C1(CNc2cc(C)nc(-c3cccnc3)n2)CCOCC1.
What is the InChIKey of N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is BFFOPUPDSCOUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-16-12-21(28-22(27-16)17-4-3-9-25-14-17)26-15-23(7-10-30-11-8-23)19-13-18(24)5-6-20(19)29-2/h3-6,9,12-14H,7-8,10-11,15H2,1-2H3,(H,26,27,28).
What are the key properties of N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 424.93 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 133274713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).