(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

C11H15N3OS — CID 7999819

IUPAC(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCc1sc2ncnc(NC[C@@H](C)O)c2c1C
InChIInChI=1S/C11H15N3OS/c1-6(15)4-12-10-9-7(2)8(3)16-11(9)14-5-13-10/h5-6,15H,4H2,1-3H3,(H,12,13,14)/t6-/m1/s1
InChIKeyIFCCDPBUXHNJQQ-ZCFIWIBFSA-N
MW237.33 g/mol
LogP2.10
Rot. Bonds3

About (2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (PubChem CID 7999819) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
PubChem CID7999819
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCc1sc2ncnc(NC[C@@H](C)O)c2c1C
InChIInChI=1S/C11H15N3OS/c1-6(15)4-12-10-9-7(2)8(3)16-11(9)14-5-13-10/h5-6,15H,4H2,1-3H3,(H,12,13,14)/t6-/m1/s1
InChIKeyIFCCDPBUXHNJQQ-ZCFIWIBFSA-N
XLogP2.10
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (CID 7999819) is (2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is Cc1sc2ncnc(NC[C@@H](C)O)c2c1C.
What is the InChIKey of (2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is IFCCDPBUXHNJQQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-6(15)4-12-10-9-7(2)8(3)16-11(9)14-5-13-10/h5-6,15H,4H2,1-3H3,(H,12,13,14)/t6-/m1/s1.
What are the key properties of (2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 237.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 7999819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).