3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol

C14H25N3OS — CID 65041207

IUPAC3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol
SMILESCCCNC(CCO)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C14H25N3OS/c1-5-7-15-13(6-8-18)9-19-14-16-11(3)10(2)12(4)17-14/h13,15,18H,5-9H2,1-4H3
InChIKeyIKSIDEGNEQUZNB-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.24
Rot. Bonds8

About 3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol

3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol (PubChem CID 65041207) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol
PubChem CID65041207
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol
SMILESCCCNC(CCO)CSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C14H25N3OS/c1-5-7-15-13(6-8-18)9-19-14-16-11(3)10(2)12(4)17-14/h13,15,18H,5-9H2,1-4H3
InChIKeyIKSIDEGNEQUZNB-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methyltetrazol-5-yl)sulfanyl-3-(propylamino)butan-1-ol
CID 64898439
4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol
CID 64928528
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine
CID 65041314
3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 64928338
4-(1,3-benzoxazol-2-ylsulfanyl)-3-(propylamino)butan-1-ol
CID 64928930
4-[(3-bromo-2-pyridinyl)sulfanyl]-3-(propylamino)butan-1-ol
CID 64927358
3-(propylamino)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
CID 64897769
1-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpentan-2-amine
CID 106927844
N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65041152
1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 65043291
4-cyclopropyl-3-[4-hydroxy-2-(propylamino)butyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64926961
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol
CID 64927743

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol?
The IUPAC name of 3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol (CID 65041207) is 3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol?
The canonical SMILES for 3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol is CCCNC(CCO)CSc1nc(C)c(C)c(C)n1.
What is the InChIKey of 3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol?
The InChIKey is IKSIDEGNEQUZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-5-7-15-13(6-8-18)9-19-14-16-11(3)10(2)12(4)17-14/h13,15,18H,5-9H2,1-4H3.
What are the key properties of 3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol?
3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 65041207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).