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

C16H17N3OS — CID 102686736

IUPAC2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol
SMILESCc1csc2c(NC(C)(CO)c3ccccc3)ncnc12
InChIInChI=1S/C16H17N3OS/c1-11-8-21-14-13(11)17-10-18-15(14)19-16(2,9-20)12-6-4-3-5-7-12/h3-8,10,20H,9H2,1-2H3,(H,17,18,19)
InChIKeySINKVLFJYQBNSD-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.32
Rot. Bonds4

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

2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol (PubChem CID 102686736) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol
PubChem CID102686736
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol
SMILESCc1csc2c(NC(C)(CO)c3ccccc3)ncnc12
InChIInChI=1S/C16H17N3OS/c1-11-8-21-14-13(11)17-10-18-15(14)19-16(2,9-20)12-6-4-3-5-7-12/h3-8,10,20H,9H2,1-2H3,(H,17,18,19)
InChIKeySINKVLFJYQBNSD-UHFFFAOYSA-N
XLogP3.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687350
2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol
CID 102686720
7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686676
N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687337
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
CID 105058534
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105058672
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545
2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 106875996
3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol
CID 102686564
N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686834
2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol
CID 105058581

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol (CID 102686736) is 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol is Cc1csc2c(NC(C)(CO)c3ccccc3)ncnc12.
What is the InChIKey of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The InChIKey is SINKVLFJYQBNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-8-21-14-13(11)17-10-18-15(14)19-16(2,9-20)12-6-4-3-5-7-12/h3-8,10,20H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol has a molecular weight of 299.40 g/mol, XLogP of 3.32, 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]-2-phenylpropan-1-ol is sourced from PubChem (CID 102686736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).