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

C14H17FN4 — CID 133382201

IUPAC2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4/c1-18(2)13-7-8-16-14(17-13)19(3)10-11-5-4-6-12(15)9-11/h4-9H,10H2,1-3H3
InChIKeyKFNHUCFJHZQCEN-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.32
Rot. Bonds4

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

2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 133382201) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID133382201
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(N(C)Cc2cccc(F)c2)n1
InChIInChI=1S/C14H17FN4/c1-18(2)13-7-8-16-14(17-13)19(3)10-11-5-4-6-12(15)9-11/h4-9H,10H2,1-3H3
InChIKeyKFNHUCFJHZQCEN-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (CID 133382201) is 2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is CN(C)c1ccnc(N(C)Cc2cccc(F)c2)n1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is KFNHUCFJHZQCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-18(2)13-7-8-16-14(17-13)19(3)10-11-5-4-6-12(15)9-11/h4-9H,10H2,1-3H3.
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 133382201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).