2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine

C11H9ClFN3 — CID 59828373

IUPAC2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccnc(Cl)n2)ccc1F
InChIInChI=1S/C11H9ClFN3/c1-7-6-8(2-3-9(7)13)15-10-4-5-14-11(12)16-10/h2-6H,1H3,(H,14,15,16)
InChIKeyNMFCPZJXNASURB-UHFFFAOYSA-N
MW237.67 g/mol
LogP3.32
Rot. Bonds2

About 2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine

2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine (PubChem CID 59828373) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
PubChem CID59828373
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccnc(Cl)n2)ccc1F
InChIInChI=1S/C11H9ClFN3/c1-7-6-8(2-3-9(7)13)15-10-4-5-14-11(12)16-10/h2-6H,1H3,(H,14,15,16)
InChIKeyNMFCPZJXNASURB-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62814283
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
CID 112699315
2-chloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 46859551
5-[(2-chloropyrimidin-4-yl)amino]-2-methylbenzoic acid
CID 142717352
2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 62336213
2-chloro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 60727037
5-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbenzoic acid
CID 174708673
4-N-(4-bromo-3-methylphenyl)-2-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 112903833
4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 80755292
6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80951424
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112904250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine (CID 59828373) is 2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine is Cc1cc(Nc2ccnc(Cl)n2)ccc1F.
What is the InChIKey of 2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine?
The InChIKey is NMFCPZJXNASURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c1-7-6-8(2-3-9(7)13)15-10-4-5-14-11(12)16-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine?
2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine has a molecular weight of 237.67 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 59828373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).