(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

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

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Related Compounds

1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol
CID 104594374
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 113282648
N-(3-chloro-2-methylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65037549
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159127
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 115578504
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 52677943
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915
1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)propan-2-ol
CID 2926596
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
(1R)-N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-1-(4-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 52680009
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979

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).