6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine

C18H22ClN3O2 — CID 76669350

IUPAC6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine
SMILESCOc1nc(Cl)cc(NCC2CCCC(c3ccc(C)cc3)O2)n1
InChIInChI=1S/C18H22ClN3O2/c1-12-6-8-13(9-7-12)15-5-3-4-14(24-15)11-20-17-10-16(19)21-18(22-17)23-2/h6-10,14-15H,3-5,11H2,1-2H3,(H,20,21,22)
InChIKeyOGHFDOICPXCJIX-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.17
Rot. Bonds5

About 6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine

6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine (PubChem CID 76669350) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine
PubChem CID76669350
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine
SMILESCOc1nc(Cl)cc(NCC2CCCC(c3ccc(C)cc3)O2)n1
InChIInChI=1S/C18H22ClN3O2/c1-12-6-8-13(9-7-12)15-5-3-4-14(24-15)11-20-17-10-16(19)21-18(22-17)23-2/h6-10,14-15H,3-5,11H2,1-2H3,(H,20,21,22)
InChIKeyOGHFDOICPXCJIX-UHFFFAOYSA-N
XLogP4.17
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 76669383
2-(fluoromethyl)-6-[[6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 123452334
6-chloro-N-[[(2R,6S)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 58035098
4-chloro-2-(fluoromethyl)-6-[2-[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]ethyl]pyrimidine
CID 158668542
5-methoxy-6-[[6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carboxylic acid
CID 123487680
(2R,6S)-2-(iodomethyl)-6-(4-methylphenyl)oxane
CID 58035404
6-chloro-3-methoxy-5-methyl-N-[[(2R,6S)-6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine
CID 88874251
6-chloro-3-methoxy-5-methyl-N-[[6-[4-(trifluoromethyl)phenyl]oxan-2-yl]methyl]pyridazin-4-amine
CID 123264163
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
6-chloro-3-methoxy-5-methyl-N-[[(2R,6S)-6-[4-(trifluoromethoxy)phenyl]oxan-2-yl]methyl]pyridazin-4-amine
CID 88874080
ethanesulfonic acid;5-methyl-6-[[(2R,6S)-6-(4-methylphenyl)oxan-2-yl]methylamino]pyrimidine-4-carbaldehyde
CID 175128165
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine (CID 76669350) is 6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine is COc1nc(Cl)cc(NCC2CCCC(c3ccc(C)cc3)O2)n1.
What is the InChIKey of 6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is OGHFDOICPXCJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-12-6-8-13(9-7-12)15-5-3-4-14(24-15)11-20-17-10-16(19)21-18(22-17)23-2/h6-10,14-15H,3-5,11H2,1-2H3,(H,20,21,22).
What are the key properties of 6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine?
6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 347.85 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methoxy-N-[[6-(4-methylphenyl)oxan-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 76669350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).