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

C15H27N3OS — CID 107772924

IUPAC3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
SMILESCCCNc1nc(CCC)nc(SC(C)C(C)O)c1C
InChIInChI=1S/C15H27N3OS/c1-6-8-13-17-14(16-9-7-2)10(3)15(18-13)20-12(5)11(4)19/h11-12,19H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyOUCPGNFHIVPLBR-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.42
Rot. Bonds8

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

3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol (PubChem CID 107772924) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
PubChem CID107772924
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
SMILESCCCNc1nc(CCC)nc(SC(C)C(C)O)c1C
InChIInChI=1S/C15H27N3OS/c1-6-8-13-17-14(16-9-7-2)10(3)15(18-13)20-12(5)11(4)19/h11-12,19H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyOUCPGNFHIVPLBR-UHFFFAOYSA-N
XLogP3.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772853
methyl 3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80991417
5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
CID 102989455
4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol
CID 80991675
4-N,5-dimethyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80987790
5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine
CID 80989176
5-methyl-6-(2-propan-2-yloxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80988691
3-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80994777
6-but-3-yn-2-yloxy-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 106795374
4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80980867
4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80986626
3-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772902

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
The IUPAC name of 3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol (CID 107772924) is 3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol is CCCNc1nc(CCC)nc(SC(C)C(C)O)c1C.
What is the InChIKey of 3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
The InChIKey is OUCPGNFHIVPLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-6-8-13-17-14(16-9-7-2)10(3)15(18-13)20-12(5)11(4)19/h11-12,19H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol?
3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol has a molecular weight of 297.47 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol is sourced from PubChem (CID 107772924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).