N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine

C11H9ClFN3 — CID 115416331

IUPACN-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1c(Cl)cccc1Nc1cc(F)ncn1
InChIInChI=1S/C11H9ClFN3/c1-7-8(12)3-2-4-9(7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyLULWMFCXTXCTOZ-UHFFFAOYSA-N
MW237.67 g/mol
LogP3.32
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine

N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine (PubChem CID 115416331) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
PubChem CID115416331
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC NameN-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1c(Cl)cccc1Nc1cc(F)ncn1
InChIInChI=1S/C11H9ClFN3/c1-7-8(12)3-2-4-9(7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyLULWMFCXTXCTOZ-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

Analyze N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine
CID 115416269
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
4-N-(3-chloro-2-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855366
6-N-(3-chloro-2-methylphenyl)-4-N,4-N-diethylpyrimidine-4,6-diamine
CID 112863489
N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115417237
6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865872
4-N-(3-chloro-2-methylphenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865874
N-tert-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109353885
N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 104724896
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
6-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 115416307
N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
CID 115416333

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine (CID 115416331) is N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine is Cc1c(Cl)cccc1Nc1cc(F)ncn1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine?
The InChIKey is LULWMFCXTXCTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c1-7-8(12)3-2-4-9(7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine?
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-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 N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 115416331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).