3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine

C11H15FN4 — CID 141094781

IUPAC3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine
SMILESNC1=C(N)NCN(Cc2ccccc2F)C1
InChIInChI=1S/C11H15FN4/c12-9-4-2-1-3-8(9)5-16-6-10(13)11(14)15-7-16/h1-4,15H,5-7,13-14H2
InChIKeyQAMOUJYOQMYWTE-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.27
Rot. Bonds2

About 3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine

3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine (PubChem CID 141094781) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine
PubChem CID141094781
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine
SMILESNC1=C(N)NCN(Cc2ccccc2F)C1
InChIInChI=1S/C11H15FN4/c12-9-4-2-1-3-8(9)5-16-6-10(13)11(14)15-7-16/h1-4,15H,5-7,13-14H2
InChIKeyQAMOUJYOQMYWTE-UHFFFAOYSA-N
XLogP0.27
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine (CID 141094781) is 3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine is NC1=C(N)NCN(Cc2ccccc2F)C1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine?
The InChIKey is QAMOUJYOQMYWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4/c12-9-4-2-1-3-8(9)5-16-6-10(13)11(14)15-7-16/h1-4,15H,5-7,13-14H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine?
3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine has a molecular weight of 222.27 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2,4-dihydro-1H-pyrimidine-5,6-diamine is sourced from PubChem (CID 141094781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).