(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol

C16H17N3OS — CID 140546721

IUPAC(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCc1csc2ncnc(N[C@H](CO)Cc3ccccc3)c12
InChIInChI=1S/C16H17N3OS/c1-11-9-21-16-14(11)15(17-10-18-16)19-13(8-20)7-12-5-3-2-4-6-12/h2-6,9-10,13,20H,7-8H2,1H3,(H,17,18,19)/t13-/m0/s1
InChIKeyWPJBIFYNDYKBGH-ZDUSSCGKSA-N
MW299.40 g/mol
LogP3.02
Rot. Bonds5

About (2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol

(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol (PubChem CID 140546721) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
PubChem CID140546721
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCc1csc2ncnc(N[C@H](CO)Cc3ccccc3)c12
InChIInChI=1S/C16H17N3OS/c1-11-9-21-16-14(11)15(17-10-18-16)19-13(8-20)7-12-5-3-2-4-6-12/h2-6,9-10,13,20H,7-8H2,1H3,(H,17,18,19)/t13-/m0/s1
InChIKeyWPJBIFYNDYKBGH-ZDUSSCGKSA-N
XLogP3.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 68604925
2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 79916251
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80907050
4-methyl-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentanoic acid
CID 122062465
2-[(4-amino-5-methyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 83265448
ethyl 3-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 68603545
benzyl 6-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoate
CID 23632050
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
2-benzyl-3-(5-chlorothieno[2,3-d]pyrimidin-4-yl)propan-1-ol
CID 58629011
3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol
CID 138054558
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol (CID 140546721) is (2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol is Cc1csc2ncnc(N[C@H](CO)Cc3ccccc3)c12.
What is the InChIKey of (2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is WPJBIFYNDYKBGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-9-21-16-14(11)15(17-10-18-16)19-13(8-20)7-12-5-3-2-4-6-12/h2-6,9-10,13,20H,7-8H2,1H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 299.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 140546721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).