4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine

C18H22ClN3O — CID 163243140

IUPAC4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine
SMILESCc1cccc(CC2CCOCC2)c1-c1nc(N)nc(Cl)c1C
InChIInChI=1S/C18H22ClN3O/c1-11-4-3-5-14(10-13-6-8-23-9-7-13)15(11)16-12(2)17(19)22-18(20)21-16/h3-5,13H,6-10H2,1-2H3,(H2,20,21,22)
InChIKeyQXGZSYIWWRPDLX-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.97
Rot. Bonds3

About 4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine

4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine (PubChem CID 163243140) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine
PubChem CID163243140
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine
SMILESCc1cccc(CC2CCOCC2)c1-c1nc(N)nc(Cl)c1C
InChIInChI=1S/C18H22ClN3O/c1-11-4-3-5-14(10-13-6-8-23-9-7-13)15(11)16-12(2)17(19)22-18(20)21-16/h3-5,13H,6-10H2,1-2H3,(H2,20,21,22)
InChIKeyQXGZSYIWWRPDLX-UHFFFAOYSA-N
XLogP3.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-Diamino-5-(3-chlorophenyl)pyrimidin-4-yl)propyl acetate
CID 11290186
3-(2,6-Diamino-5-(3-chlorophenyl)pyrimidin-4-yl)propan-1-ol
CID 11369471
5-Butyl-4-chloro-6-phenylpyrimidin-2-amine
CID 60197795
5-[2,6-Diamino-5-(4-chlorophenyl)pyrimidin-4-yl]pentan-1-ol
CID 44423945
2,4-Dichloro-6-[(3,5-dimethylphenyl)methyl]-5-propan-2-ylpyrimidine
CID 10566804
4-Chloro-6-(2,6-dimethylphenyl)-5-fluoropyrimidin-2-amine
CID 163242788
4-Chloro-6-[2-methyl-6-(2-methylpropyl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 163243156
4-Chloro-6-(2,6-dimethylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 163243350
4-Chloro-5-fluoro-6-methyl-2-(4-phenyloxan-4-yl)pyrimidine
CID 65999638
4-Chloro-6-methyl-5-(naphthalen-1-ylmethyl)pyrimidin-2-amine
CID 3154203
4-Chloro-5-(2-ethoxyethyl)-6-phenylpyrimidin-2-amine
CID 13193135
4-Chloro-6-[3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]pyrimidin-2-amine
CID 23570307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine (CID 163243140) is 4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine is Cc1cccc(CC2CCOCC2)c1-c1nc(N)nc(Cl)c1C.
What is the InChIKey of 4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine?
The InChIKey is QXGZSYIWWRPDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-11-4-3-5-14(10-13-6-8-23-9-7-13)15(11)16-12(2)17(19)22-18(20)21-16/h3-5,13H,6-10H2,1-2H3,(H2,20,21,22).
What are the key properties of 4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine?
4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine has a molecular weight of 331.85 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-[2-methyl-6-(oxan-4-ylmethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 163243140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).