4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine

C11H13FN4 — CID 67887922

IUPAC4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine
SMILESNC1=CNC=NC1(N)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN4/c12-9-3-1-8(2-4-9)5-11(14)10(13)6-15-7-16-11/h1-4,6-7H,5,13-14H2,(H,15,16)
InChIKeyJQDQBAPNGHPFAR-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.45
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine

4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine (PubChem CID 67887922) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine
PubChem CID67887922
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine
SMILESNC1=CNC=NC1(N)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN4/c12-9-3-1-8(2-4-9)5-11(14)10(13)6-15-7-16-11/h1-4,6-7H,5,13-14H2,(H,15,16)
InChIKeyJQDQBAPNGHPFAR-UHFFFAOYSA-N
XLogP0.45
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Trifluoromethyl)phenyl]-1,4-dihydropyrimidine
CID 21628216
4-Phenyl-1,4-dihydropyrimidine
CID 19807438
2-Methyl-4-phenyl-1,4-dihydropyrimidine
CID 70493140
5-Phenyl-2-(trifluoromethyl)-4-1,4-dihydropyridylamine
CID 43842027
5-(2-Fluorophenyl)-1,4,5,6-tetrahydropyrimidine
CID 3087476
4-(3-aminophenyl)-2-chloro-5-fluoro-1H-pyrimidin-4-amine
CID 67233537
4-[(4-fluorophenyl)methyl]-1H-pyridine-3,4-diamine
CID 67871911
5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine
CID 67887871
4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine
CID 67887978
4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine
CID 68587252
4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine
CID 68983868
4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine
CID 68987500

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine (CID 67887922) is 4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine is NC1=CNC=NC1(N)Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine?
The InChIKey is JQDQBAPNGHPFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c12-9-3-1-8(2-4-9)5-11(14)10(13)6-15-7-16-11/h1-4,6-7H,5,13-14H2,(H,15,16).
What are the key properties of 4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine?
4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine has a molecular weight of 220.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine is sourced from PubChem (CID 67887922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).