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

C13H14FN3 — CID 55152107

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3/c1-10-6-8-15-13(17-10)16-9-7-11-2-4-12(14)5-3-11/h2-6,8H,7,9H2,1H3,(H,15,16,17)
InChIKeyCMKDTLDLISXHJA-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.58
Rot. Bonds4

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

N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine (PubChem CID 55152107) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
PubChem CID55152107
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3/c1-10-6-8-15-13(17-10)16-9-7-11-2-4-12(14)5-3-11/h2-6,8H,7,9H2,1H3,(H,15,16,17)
InChIKeyCMKDTLDLISXHJA-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 62958039
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107546230
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
4-N-[2-(4-fluorophenyl)ethyl]-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883371
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893666
2-N-tert-butyl-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894693
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112894692
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464
4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide
CID 133309502

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine (CID 55152107) is N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The InChIKey is CMKDTLDLISXHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-10-6-8-15-13(17-10)16-9-7-11-2-4-12(14)5-3-11/h2-6,8H,7,9H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine has a molecular weight of 231.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 55152107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).