N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine

C13H14FN3 — CID 164655114

IUPACN-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine
SMILESCc1cnc(F)nc1N(C)Cc1ccccc1
InChIInChI=1S/C13H14FN3/c1-10-8-15-13(14)16-12(10)17(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyDJGZRJXPTHROQK-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.56
Rot. Bonds3

About N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine

N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine (PubChem CID 164655114) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine
PubChem CID164655114
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC NameN-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine
SMILESCc1cnc(F)nc1N(C)Cc1ccccc1
InChIInChI=1S/C13H14FN3/c1-10-8-15-13(14)16-12(10)17(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyDJGZRJXPTHROQK-UHFFFAOYSA-N
XLogP2.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80753731
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80794458
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80777490
N-benzyl-N,3-dimethylpyrazin-2-amine;ethane
CID 145242073
4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 80794967
2-[6-[benzyl(methyl)amino]-5-methyl-3-pyridinyl]ethanol
CID 102544765
6-[benzyl(methyl)amino]-5-methylpyridine-3-carbonitrile
CID 102544753
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
2-hydrazinyl-N,5-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80907599
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80764683
2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine
CID 79020868
2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794156

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine (CID 164655114) is N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine is Cc1cnc(F)nc1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine?
The InChIKey is DJGZRJXPTHROQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-10-8-15-13(14)16-12(10)17(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine?
N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine has a molecular weight of 231.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 164655114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).