2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol

C9H15N3OS — CID 64808416

IUPAC2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol
SMILESCCNC(CO)CSc1ccncn1
InChIInChI=1S/C9H15N3OS/c1-2-11-8(5-13)6-14-9-3-4-10-7-12-9/h3-4,7-8,11,13H,2,5-6H2,1H3
InChIKeyQZKKYDNZJBXTGR-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.54
Rot. Bonds6

About 2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol

2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol (PubChem CID 64808416) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol
PubChem CID64808416
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol
SMILESCCNC(CO)CSc1ccncn1
InChIInChI=1S/C9H15N3OS/c1-2-11-8(5-13)6-14-9-3-4-10-7-12-9/h3-4,7-8,11,13H,2,5-6H2,1H3
InChIKeyQZKKYDNZJBXTGR-UHFFFAOYSA-N
XLogP0.54
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine
CID 107511428
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64626452
(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol
CID 106933386
1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
CID 113449525
ethyl 2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63696552
2-amino-3-pyrimidin-4-ylsulfanylpropanamide
CID 63695895
1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
CID 64627448
methyl 2-(propan-2-ylamino)-3-pyrimidin-4-ylsulfanylpropanoate
CID 63695897
N-ethyl-3-pyrimidin-4-ylsulfanylpropan-1-amine
CID 63698184
(2R)-2-(pyrimidin-4-ylmethylamino)butan-1-ol
CID 104868735
N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide
CID 77017384
N-[1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethyl]propan-1-amine
CID 64627451

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol?
The IUPAC name of 2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol (CID 64808416) is 2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol is CCNC(CO)CSc1ccncn1.
What is the InChIKey of 2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol?
The InChIKey is QZKKYDNZJBXTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-11-8(5-13)6-14-9-3-4-10-7-12-9/h3-4,7-8,11,13H,2,5-6H2,1H3.
What are the key properties of 2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol?
2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol has a molecular weight of 213.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64808416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).