N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine

C12H11ClFN3 — CID 115416604

IUPACN-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine
SMILESCN(Cc1cccc(Cl)c1)c1cc(F)ncn1
InChIInChI=1S/C12H11ClFN3/c1-17(12-6-11(14)15-8-16-12)7-9-3-2-4-10(13)5-9/h2-6,8H,7H2,1H3
InChIKeySCXXOTXNOCEGCJ-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.91
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine

N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine (PubChem CID 115416604) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine
PubChem CID115416604
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC NameN-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine
SMILESCN(Cc1cccc(Cl)c1)c1cc(F)ncn1
InChIInChI=1S/C12H11ClFN3/c1-17(12-6-11(14)15-8-16-12)7-9-3-2-4-10(13)5-9/h2-6,8H,7H2,1H3
InChIKeySCXXOTXNOCEGCJ-UHFFFAOYSA-N
XLogP2.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-6-N-[2-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine
CID 112859467
6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 115417200
4-N-benzyl-6-N-(3-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112859491
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
1-N-[(3-chlorophenyl)methyl]-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 61413666
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255532
6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
CID 80638202
4-N-[(3-chlorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794023
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
3-[[(6-chloropyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 55141171
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564313
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine (CID 115416604) is N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine is CN(Cc1cccc(Cl)c1)c1cc(F)ncn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is SCXXOTXNOCEGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-17(12-6-11(14)15-8-16-12)7-9-3-2-4-10(13)5-9/h2-6,8H,7H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine?
N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 251.69 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115416604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).