4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine

C14H17FN4 — CID 80794967

IUPAC4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)Cc2ccccc2F)n1
InChIInChI=1S/C14H17FN4/c1-10-8-17-14(16-2)18-13(10)19(3)9-11-6-4-5-7-12(11)15/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyPMBAAKZDVNDKPS-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.60
Rot. Bonds4

About 4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine

4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 80794967) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID80794967
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)Cc2ccccc2F)n1
InChIInChI=1S/C14H17FN4/c1-10-8-17-14(16-2)18-13(10)19(3)9-11-6-4-5-7-12(11)15/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyPMBAAKZDVNDKPS-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 80794967) is 4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine is CNc1ncc(C)c(N(C)Cc2ccccc2F)n1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is PMBAAKZDVNDKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-10-8-17-14(16-2)18-13(10)19(3)9-11-6-4-5-7-12(11)15/h4-8H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine?
4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80794967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).