6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

C15H19FN4 — CID 112855276

IUPAC6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(NCc2ccccc2F)ncn1
InChIInChI=1S/C15H19FN4/c1-11(2)8-17-14-7-15(20-10-19-14)18-9-12-5-3-4-6-13(12)16/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyABYRDZNUBFCYMX-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.30
Rot. Bonds6

About 6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 112855276) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID112855276
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(NCc2ccccc2F)ncn1
InChIInChI=1S/C15H19FN4/c1-11(2)8-17-14-7-15(20-10-19-14)18-9-12-5-3-4-6-13(12)16/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyABYRDZNUBFCYMX-UHFFFAOYSA-N
XLogP3.30
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855280
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112859560
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112859559
6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347632
4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859683
N-benzyl-6-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348042
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
6-hydrazinyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 80932371
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
4-N-[(2-chlorophenyl)methyl]-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112859886
N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348061
2-(2-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009631

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 112855276) is 6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is CC(C)CNc1cc(NCc2ccccc2F)ncn1.
What is the InChIKey of 6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is ABYRDZNUBFCYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-11(2)8-17-14-7-15(20-10-19-14)18-9-12-5-3-4-6-13(12)16/h3-7,10-11H,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-fluorophenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).