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

C13H20N4OS — CID 104594374

IUPAC1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol
SMILESCc1sc2ncnc(NCCNCC(C)O)c2c1C
InChIInChI=1S/C13H20N4OS/c1-8(18)6-14-4-5-15-12-11-9(2)10(3)19-13(11)17-7-16-12/h7-8,14,18H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyAYFNSYIBZKPTFA-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.69
Rot. Bonds6

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

1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol (PubChem CID 104594374) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol
PubChem CID104594374
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol
SMILESCc1sc2ncnc(NCCNCC(C)O)c2c1C
InChIInChI=1S/C13H20N4OS/c1-8(18)6-14-4-5-15-12-11-9(2)10(3)19-13(11)17-7-16-12/h7-8,14,18H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyAYFNSYIBZKPTFA-UHFFFAOYSA-N
XLogP1.69
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

(2R)-1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 7999819
N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 113282648
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 115578504
N-(3-chloro-2-methylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65037549
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159127
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 106244472
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
methyl 6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoate
CID 60631358
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol (CID 104594374) is 1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol is Cc1sc2ncnc(NCCNCC(C)O)c2c1C.
What is the InChIKey of 1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol?
The InChIKey is AYFNSYIBZKPTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8(18)6-14-4-5-15-12-11-9(2)10(3)19-13(11)17-7-16-12/h7-8,14,18H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol?
1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol has a molecular weight of 280.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 104594374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).