2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol

C11H15N3OS — CID 102686263

IUPAC2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc2c(C)csc12
InChIInChI=1S/C11H15N3OS/c1-3-8(4-15)14-11-10-9(12-6-13-11)7(2)5-16-10/h5-6,8,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyAODRYPVYCVTXSV-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.18
Rot. Bonds4

About 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol

2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol (PubChem CID 102686263) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
PubChem CID102686263
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc2c(C)csc12
InChIInChI=1S/C11H15N3OS/c1-3-8(4-15)14-11-10-9(12-6-13-11)7(2)5-16-10/h5-6,8,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyAODRYPVYCVTXSV-UHFFFAOYSA-N
XLogP2.18
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545
7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686212
3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol
CID 102686564
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856
N-(1-cyclohexylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686447
2-[(11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)amino]butan-1-ol
CID 110432224
N-methyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686363
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686398
N-(1-chloro-4,4-dimethylpentan-3-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 106354476
2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 173320300

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol (CID 102686263) is 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol is CCC(CO)Nc1ncnc2c(C)csc12.
What is the InChIKey of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is AODRYPVYCVTXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-8(4-15)14-11-10-9(12-6-13-11)7(2)5-16-10/h5-6,8,15H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol?
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 237.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 102686263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).