6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine

C14H16ClN3O — CID 80963380

IUPAC6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-9(2)14-17-12(16)7-13(18-14)19-8-10-4-3-5-11(15)6-10/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKeyFAIDNXTZUPKKLE-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.41
Rot. Bonds4

About 6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine

6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80963380) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80963380
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-9(2)14-17-12(16)7-13(18-14)19-8-10-4-3-5-11(15)6-10/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKeyFAIDNXTZUPKKLE-UHFFFAOYSA-N
XLogP3.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methoxyphenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80965542
6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80942588
2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine
CID 65124564
3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline
CID 80747976
6-(4-chloro-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966235
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 65127178
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80941277
2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 114044146
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine (CID 80963380) is 6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(OCc2cccc(Cl)c2)n1.
What is the InChIKey of 6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is FAIDNXTZUPKKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9(2)14-17-12(16)7-13(18-14)19-8-10-4-3-5-11(15)6-10/h3-7,9H,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine?
6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.75 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80963380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).