5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine

C13H19FN6 — CID 72906183

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCCn1ccnc1CNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C13H19FN6/c1-4-6-20-7-5-15-11(20)9-17-13-16-8-10(14)12(18-13)19(2)3/h5,7-8H,4,6,9H2,1-3H3,(H,16,17,18)
InChIKeyYJBDRZQUQATSDO-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.90
Rot. Bonds6

About 5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 72906183) has the molecular formula C13H19FN6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID72906183
Molecular FormulaC13H19FN6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCCn1ccnc1CNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C13H19FN6/c1-4-6-20-7-5-15-11(20)9-17-13-16-8-10(14)12(18-13)19(2)3/h5,7-8H,4,6,9H2,1-3H3,(H,16,17,18)
InChIKeyYJBDRZQUQATSDO-UHFFFAOYSA-N
XLogP1.90
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 72906183) is 5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine is CCCn1ccnc1CNc1ncc(F)c(N(C)C)n1.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YJBDRZQUQATSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN6/c1-4-6-20-7-5-15-11(20)9-17-13-16-8-10(14)12(18-13)19(2)3/h5,7-8H,4,6,9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 278.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[(1-propylimidazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72906183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).