4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine

C13H15FN4 — CID 80802316

IUPAC4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4/c1-8(10-3-5-11(14)6-4-10)16-13-7-12(15)17-9(2)18-13/h3-8H,1-2H3,(H3,15,16,17,18)
InChIKeySQXRIPJDNFSKPE-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.68
Rot. Bonds3

About 4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine

4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 80802316) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
PubChem CID80802316
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4/c1-8(10-3-5-11(14)6-4-10)16-13-7-12(15)17-9(2)18-13/h3-8H,1-2H3,(H3,15,16,17,18)
InChIKeySQXRIPJDNFSKPE-UHFFFAOYSA-N
XLogP2.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771303
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80801904
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83073840
N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187
2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine
CID 80838338
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
CID 80788207
3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
CID 103467892
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine (CID 80802316) is 4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(N)cc(NC(C)c2ccc(F)cc2)n1.
What is the InChIKey of 4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is SQXRIPJDNFSKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-8(10-3-5-11(14)6-4-10)16-13-7-12(15)17-9(2)18-13/h3-8H,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine?
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 246.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80802316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).