5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine

C9H15FN4 — CID 80765312

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C9H15FN4/c1-4-5-11-9-12-6-7(10)8(13-9)14(2)3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyKKOOCTQVUGKKDA-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.50
Rot. Bonds4

About 5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80765312) has the molecular formula C9H15FN4 and a molecular weight of 198.25 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80765312
Molecular FormulaC9H15FN4
Molecular Weight198.25 g/mol
Exact Mass198.13
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C)n1
InChIInChI=1S/C9H15FN4/c1-4-5-11-9-12-6-7(10)8(13-9)14(2)3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyKKOOCTQVUGKKDA-UHFFFAOYSA-N
XLogP1.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
5-fluoro-4-N-methyl-4-N-pentan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80792483
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848537
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000
4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80779606
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]butanenitrile
CID 80828951
5-fluoro-4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777771
4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80799829
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine (CID 80765312) is 5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(C)C)n1.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is KKOOCTQVUGKKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-4-5-11-9-12-6-7(10)8(13-9)14(2)3/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 198.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80765312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).