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

C12H21FN4 — CID 80767954

IUPAC5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(C)(C)CC)n1
InChIInChI=1S/C12H21FN4/c1-5-7-14-11-15-8-9(13)10(16-11)17-12(3,4)6-2/h8H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyXKBYKTLNDBVBAY-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.04
Rot. Bonds6

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

5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80767954) has the molecular formula C12H21FN4 and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80767954
Molecular FormulaC12H21FN4
Molecular Weight240.33 g/mol
Exact Mass240.18
IUPAC Name5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(C)(C)CC)n1
InChIInChI=1S/C12H21FN4/c1-5-7-14-11-15-8-9(13)10(16-11)17-12(3,4)6-2/h8H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyXKBYKTLNDBVBAY-UHFFFAOYSA-N
XLogP3.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80842696
2,2-difluoro-3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114154605
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80847389
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-5-fluoropyrimidine-2,4-diamine
CID 80840287
4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
5-fluoro-4-N-[(1-methylcyclopentyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80846627
5-fluoro-4-N-(3-methoxypropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773233
4-N-[3-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80777373
5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804122
4-N-(2-butoxyethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819043

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine (CID 80767954) is 5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NC(C)(C)CC)n1.
What is the InChIKey of 5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is XKBYKTLNDBVBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4/c1-5-7-14-11-15-8-9(13)10(16-11)17-12(3,4)6-2/h8H,5-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 240.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80767954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).