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

C11H13FN4 — CID 67887871

IUPAC5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine
SMILESNC1N=CN=CC1(N)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN4/c12-9-3-1-8(2-4-9)5-11(14)6-15-7-16-10(11)13/h1-4,6-7,10H,5,13-14H2
InChIKeyYFAOIYTUFKCHGE-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.46
Rot. Bonds2

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

5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine (PubChem CID 67887871) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine
PubChem CID67887871
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine
SMILESNC1N=CN=CC1(N)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN4/c12-9-3-1-8(2-4-9)5-11(14)6-15-7-16-10(11)13/h1-4,6-7,10H,5,13-14H2
InChIKeyYFAOIYTUFKCHGE-UHFFFAOYSA-N
XLogP0.46
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine (CID 67887871) is 5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine is NC1N=CN=CC1(N)Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine?
The InChIKey is YFAOIYTUFKCHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c12-9-3-1-8(2-4-9)5-11(14)6-15-7-16-10(11)13/h1-4,6-7,10H,5,13-14H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine?
5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine has a molecular weight of 220.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-4H-pyrimidine-4,5-diamine is sourced from PubChem (CID 67887871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).