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

C11H15N3OS — CID 66108387

IUPAC3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
SMILESCC(CCO)CNc1ncnc2ccsc12
InChIInChI=1S/C11H15N3OS/c1-8(2-4-15)6-12-11-10-9(3-5-16-10)13-7-14-11/h3,5,7-8,15H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyBVKXTZVHWLEBMB-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.12
Rot. Bonds5

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

3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol (PubChem CID 66108387) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
PubChem CID66108387
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
SMILESCC(CCO)CNc1ncnc2ccsc12
InChIInChI=1S/C11H15N3OS/c1-8(2-4-15)6-12-11-10-9(3-5-16-10)13-7-14-11/h3,5,7-8,15H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyBVKXTZVHWLEBMB-UHFFFAOYSA-N
XLogP2.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methylhexyl)thieno[3,2-d]pyrimidin-4-amine
CID 79003294
N-[2-(1,3-thiazol-2-yl)propyl]thieno[3,2-d]pyrimidin-4-amine
CID 104577253
3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
CID 66106208
N'-propan-2-yl-N-thieno[3,2-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663575
N-(2-chloro-3-methoxypropyl)thieno[3,2-d]pyrimidin-4-amine
CID 65027338
1-[(2S)-2-methyl-3-(thieno[3,2-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one
CID 94210794
N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thieno[3,2-d]pyrimidin-4-amine
CID 32807443
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]ethanol
CID 60701626
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856
2-(thieno[3,2-d]pyrimidin-4-ylamino)ethanethiol
CID 58265115
2-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]phenol
CID 113228774

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol?
The IUPAC name of 3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol (CID 66108387) is 3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol is CC(CCO)CNc1ncnc2ccsc12.
What is the InChIKey of 3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol?
The InChIKey is BVKXTZVHWLEBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8(2-4-15)6-12-11-10-9(3-5-16-10)13-7-14-11/h3,5,7-8,15H,2,4,6H2,1H3,(H,12,13,14).
What are the key properties of 3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol?
3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol has a molecular weight of 237.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol is sourced from PubChem (CID 66108387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).