4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine

C10H11FN4 — CID 68987500

IUPAC4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2ccc(F)cc2)C=CN1
InChIInChI=1S/C10H11FN4/c11-8-3-1-7(2-4-8)10(13)5-6-14-9(12)15-10/h1-6H,13H2,(H3,12,14,15)
InChIKeyWPFGQTXFRWTYPT-UHFFFAOYSA-N
MW206.22 g/mol
LogP0.37
Rot. Bonds1

About 4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine

4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine (PubChem CID 68987500) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine
PubChem CID68987500
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2ccc(F)cc2)C=CN1
InChIInChI=1S/C10H11FN4/c11-8-3-1-7(2-4-8)10(13)5-6-14-9(12)15-10/h1-6H,13H2,(H3,12,14,15)
InChIKeyWPFGQTXFRWTYPT-UHFFFAOYSA-N
XLogP0.37
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Diaminomethylidene)-2-[(3-fluorophenyl)methyl]guanidine
CID 83032501
4-Fluorobenzylguanidine
CID 2544654
2-Benzyl-1-cyanoguanidine
CID 373917
CID 450549
CID 450549
Guanidine, (o-fluorobenzyl)-
CID 12805
m-(18F)-Fluorobenzylguanidine
CID 450547
6-Phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 13034515
1-(3-Fluorobenzyl)guanidine
CID 14963573
1-Cyano-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 168275295
4-aminobutyl-N'-(4-fluorobenzyl)guanidine
CID 10084760
4-[4-(Trifluoromethyl)phenyl]-1,4-dihydropyrimidine
CID 21628216
1-Benzyl-2-[(3-fluorophenyl)methyl]guanidine
CID 44220657

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine (CID 68987500) is 4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(c2ccc(F)cc2)C=CN1.
What is the InChIKey of 4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is WPFGQTXFRWTYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-8-3-1-7(2-4-8)10(13)5-6-14-9(12)15-10/h1-6H,13H2,(H3,12,14,15).
What are the key properties of 4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine?
4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 206.22 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 68987500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).