5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine

C12H20FN3S — CID 107765489

IUPAC5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(SC(C)C(C)C)n1
InChIInChI=1S/C12H20FN3S/c1-5-6-14-12-15-7-10(13)11(16-12)17-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H,14,15,16)
InChIKeySCPKXVCJOXDAMO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.57
Rot. Bonds6

About 5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine

5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine (PubChem CID 107765489) has the molecular formula C12H20FN3S and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine
PubChem CID107765489
Molecular FormulaC12H20FN3S
Molecular Weight257.38 g/mol
Exact Mass257.14
IUPAC Name5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(SC(C)C(C)C)n1
InChIInChI=1S/C12H20FN3S/c1-5-6-14-12-15-7-10(13)11(16-12)17-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H,14,15,16)
InChIKeySCPKXVCJOXDAMO-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772815
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885067
5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804122
4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731
4-(3-methylbutan-2-ylsulfanyl)-N-propyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107765545
5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
CID 80889363
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80849132
5-chloro-N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyrimidin-2-amine
CID 107765527
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
5-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895354
5-fluoro-4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841997
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine (CID 107765489) is 5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(SC(C)C(C)C)n1.
What is the InChIKey of 5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
The InChIKey is SCPKXVCJOXDAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3S/c1-5-6-14-12-15-7-10(13)11(16-12)17-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine?
5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(3-methylbutan-2-ylsulfanyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 107765489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).