3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol

C14H25N3OS — CID 80964593

IUPAC3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
SMILESCCCNc1cc(SC(C)CCO)nc(C(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-5-7-15-12-9-13(19-11(4)6-8-18)17-14(16-12)10(2)3/h9-11,18H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGTUUJWCWLIPCJT-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.28
Rot. Bonds8

About 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol

3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol (PubChem CID 80964593) 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-1-ol.

Molecular Properties

Compound Name3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
PubChem CID80964593
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
SMILESCCCNc1cc(SC(C)CCO)nc(C(C)C)n1
InChIInChI=1S/C14H25N3OS/c1-5-7-15-12-9-13(19-11(4)6-8-18)17-14(16-12)10(2)3/h9-11,18H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGTUUJWCWLIPCJT-UHFFFAOYSA-N
XLogP3.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964216
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772749
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol
CID 80890486
6-(3-methylbutylsulfanyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 107766055
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
3-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964135
N-ethyl-2-propan-2-yl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80962750
6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
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
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222

Frequently Asked Questions

What is the IUPAC name of 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol?
The IUPAC name of 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol (CID 80964593) is 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol is CCCNc1cc(SC(C)CCO)nc(C(C)C)n1.
What is the InChIKey of 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol?
The InChIKey is GTUUJWCWLIPCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-5-7-15-12-9-13(19-11(4)6-8-18)17-14(16-12)10(2)3/h9-11,18H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol?
3-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 3.28, 8 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-1-ol is sourced from PubChem (CID 80964593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).