3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol

C14H25N3OS — CID 107772902

IUPAC3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
SMILESCCCNc1ncnc(SC(C)C(C)O)c1C(C)C
InChIInChI=1S/C14H25N3OS/c1-6-7-15-13-12(9(2)3)14(17-8-16-13)19-11(5)10(4)18/h8-11,18H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyDIBUFFMZJFDVJX-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.28
Rot. Bonds7

About 3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol

3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol (PubChem CID 107772902) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
PubChem CID107772902
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
SMILESCCCNc1ncnc(SC(C)C(C)O)c1C(C)C
InChIInChI=1S/C14H25N3OS/c1-6-7-15-13-12(9(2)3)14(17-8-16-13)19-11(5)10(4)18/h8-11,18H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyDIBUFFMZJFDVJX-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

Analyze 3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894857
6-(2-methylphenyl)sulfanyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80873139
6-(2-methylsulfonylethylsulfanyl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80883829
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80888443
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967468
6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102989487
3-methyl-2-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848033
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
4-N-ethyl-5-propan-2-yl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80775502

Frequently Asked Questions

What is the IUPAC name of 3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
The IUPAC name of 3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol (CID 107772902) is 3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol is CCCNc1ncnc(SC(C)C(C)O)c1C(C)C.
What is the InChIKey of 3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
The InChIKey is DIBUFFMZJFDVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-6-7-15-13-12(9(2)3)14(17-8-16-13)19-11(5)10(4)18/h8-11,18H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
3-[5-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-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol is sourced from PubChem (CID 107772902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).