(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol

C10H13N3OS — CID 93033856

IUPAC(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
SMILESCC[C@@H](CO)Nc1ncnc2ccsc12
InChIInChI=1S/C10H13N3OS/c1-2-7(5-14)13-10-9-8(3-4-15-9)11-6-12-10/h3-4,6-7,14H,2,5H2,1H3,(H,11,12,13)/t7-/m0/s1
InChIKeyKNUIJMDUQHEJNI-ZETCQYMHSA-N
MW223.30 g/mol
LogP1.87
Rot. Bonds4

About (2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol

(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol (PubChem CID 93033856) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is (2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
PubChem CID93033856
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
SMILESCC[C@@H](CO)Nc1ncnc2ccsc12
InChIInChI=1S/C10H13N3OS/c1-2-7(5-14)13-10-9-8(3-4-15-9)11-6-12-10/h3-4,6-7,14H,2,5H2,1H3,(H,11,12,13)/t7-/m0/s1
InChIKeyKNUIJMDUQHEJNI-ZETCQYMHSA-N
XLogP1.87
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol with MolForge

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Related Compounds

N-pent-1-yn-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 103578173
N-octan-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 114138437
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 102686263
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 66108387
(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 175667937
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 103853810
N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 60701821
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
N-(1-naphthalen-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17450208

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol?
The IUPAC name of (2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol (CID 93033856) is (2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol?
The canonical SMILES for (2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol is CC[C@@H](CO)Nc1ncnc2ccsc12.
What is the InChIKey of (2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol?
The InChIKey is KNUIJMDUQHEJNI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-2-7(5-14)13-10-9-8(3-4-15-9)11-6-12-10/h3-4,6-7,14H,2,5H2,1H3,(H,11,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol?
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol has a molecular weight of 223.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol is sourced from PubChem (CID 93033856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).