N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine

C13H14FN3 — CID 62960002

IUPACN-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3/c1-9-7-8-15-13(16-9)17-10(2)11-3-5-12(14)6-4-11/h3-8,10H,1-2H3,(H,15,16,17)
InChIKeySRLNPLCDKCWXMO-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.10
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine

N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine (PubChem CID 62960002) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
PubChem CID62960002
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3/c1-9-7-8-15-13(16-9)17-10(2)11-3-5-12(14)6-4-11/h3-8,10H,1-2H3,(H,15,16,17)
InChIKeySRLNPLCDKCWXMO-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041
1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 133309866
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-4-methylpyrimidin-2-amine
CID 133349022
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95561128
4-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 62958907
2-[1-(4-fluorophenyl)ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181525
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine
CID 133304370
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
CID 59879787
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
2-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956
4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946633

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine (CID 62960002) is N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NC(C)c2ccc(F)cc2)n1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The InChIKey is SRLNPLCDKCWXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-7-8-15-13(16-9)17-10(2)11-3-5-12(14)6-4-11/h3-8,10H,1-2H3,(H,15,16,17).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine has a molecular weight of 231.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 62960002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).