4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine

C15H19FN4 — CID 80945613

IUPAC4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C15H19FN4/c1-3-5-14-18-13(17)9-15(19-14)20(2)10-11-6-4-7-12(16)8-11/h4,6-9H,3,5,10H2,1-2H3,(H2,17,18,19)
InChIKeyUARLPLZOGAOFIN-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.79
Rot. Bonds5

About 4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80945613) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80945613
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C15H19FN4/c1-3-5-14-18-13(17)9-15(19-14)20(2)10-11-6-4-7-12(16)8-11/h4,6-9H,3,5,10H2,1-2H3,(H2,17,18,19)
InChIKeyUARLPLZOGAOFIN-UHFFFAOYSA-N
XLogP2.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine (CID 80945613) is 4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(N(C)Cc2cccc(F)c2)n1.
What is the InChIKey of 4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is UARLPLZOGAOFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-3-5-14-18-13(17)9-15(19-14)20(2)10-11-6-4-7-12(16)8-11/h4,6-9H,3,5,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80945613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).