3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol

C14H25N3OS — CID 107772749

IUPAC3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
SMILESCCCNc1cc(SC(C)C(C)O)nc(C(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-6-7-15-12-8-13(19-11(5)10(4)18)17-14(16-12)9(2)3/h8-11,18H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyCVYYKZFHWUAJSY-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.28
Rot. Bonds7

About 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol

3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol (PubChem CID 107772749) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
PubChem CID107772749
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
SMILESCCCNc1cc(SC(C)C(C)O)nc(C(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-6-7-15-12-8-13(19-11(5)10(4)18)17-14(16-12)9(2)3/h8-11,18H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyCVYYKZFHWUAJSY-UHFFFAOYSA-N
XLogP3.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964593
6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 107766055
N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80962750
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
6-(2-fluorophenyl)sulfanyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80963405
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80960142
6-(3-methylbutan-2-ylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765595
3-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964216

Frequently Asked Questions

What is the IUPAC name of 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
The IUPAC name of 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol (CID 107772749) is 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol is CCCNc1cc(SC(C)C(C)O)nc(C(C)C)n1.
What is the InChIKey of 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
The InChIKey is CVYYKZFHWUAJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-6-7-15-12-8-13(19-11(5)10(4)18)17-14(16-12)9(2)3/h8-11,18H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol has a molecular weight of 283.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol is sourced from PubChem (CID 107772749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).