6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine

C14H15ClFN3 — CID 80951424

IUPAC6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)nc(C(C)C)n2)ccc1F
InChIInChI=1S/C14H15ClFN3/c1-8(2)14-18-12(15)7-13(19-14)17-10-4-5-11(16)9(3)6-10/h4-8H,1-3H3,(H,17,18,19)
InChIKeyVVOCMCRRZUBTTM-UHFFFAOYSA-N
MW279.75 g/mol
LogP4.44
Rot. Bonds3

About 6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80951424) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80951424
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)nc(C(C)C)n2)ccc1F
InChIInChI=1S/C14H15ClFN3/c1-8(2)14-18-12(15)7-13(19-14)17-10-4-5-11(16)9(3)6-10/h4-8H,1-3H3,(H,17,18,19)
InChIKeyVVOCMCRRZUBTTM-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 104780296
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80947983
6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80948781
4-N-(3,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956276
2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 59828373
4-N-(3-chloro-4-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956194
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63549748
6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80949167
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407
4-N-(4-fluoro-3-methylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80824530
6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953300

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine (CID 80951424) is 6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine is Cc1cc(Nc2cc(Cl)nc(C(C)C)n2)ccc1F.
What is the InChIKey of 6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VVOCMCRRZUBTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-8(2)14-18-12(15)7-13(19-14)17-10-4-5-11(16)9(3)6-10/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80951424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).