5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine

C13H23FN4 — CID 80792326

IUPAC5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C(C)C(C)C)n1
InChIInChI=1S/C13H23FN4/c1-6-7-15-13-16-8-11(14)12(17-13)18(5)10(4)9(2)3/h8-10H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyLSMCMCOFIZLMHP-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.92
Rot. Bonds6

About 5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80792326) has the molecular formula C13H23FN4 and a molecular weight of 254.35 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80792326
Molecular FormulaC13H23FN4
Molecular Weight254.35 g/mol
Exact Mass254.19
IUPAC Name5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C(C)C(C)C)n1
InChIInChI=1S/C13H23FN4/c1-6-7-15-13-16-8-11(14)12(17-13)18(5)10(4)9(2)3/h8-10H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyLSMCMCOFIZLMHP-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-methyl-4-N-pentan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80792483
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]butanenitrile
CID 80828951
4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848537
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
4-N-ethyl-4-N-(2-ethylbutyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80799829
5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80766794
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80810049

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine (CID 80792326) is 5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(C)C(C)C(C)C)n1.
What is the InChIKey of 5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is LSMCMCOFIZLMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4/c1-6-7-15-13-16-8-11(14)12(17-13)18(5)10(4)9(2)3/h8-10H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80792326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).