[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol

C12H17N3OS — CID 62194832

IUPAC[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
SMILESCCCNc1nc(CO)nc2sc(C)c(C)c12
InChIInChI=1S/C12H17N3OS/c1-4-5-13-11-10-7(2)8(3)17-12(10)15-9(6-16)14-11/h16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyPXDYCADWNPWCPD-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.62
Rot. Bonds4

About [5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol

[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol (PubChem CID 62194832) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is [5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
PubChem CID62194832
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
SMILESCCCNc1nc(CO)nc2sc(C)c(C)c12
InChIInChI=1S/C12H17N3OS/c1-4-5-13-11-10-7(2)8(3)17-12(10)15-9(6-16)14-11/h16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyPXDYCADWNPWCPD-UHFFFAOYSA-N
XLogP2.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-2-(2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485014
5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62475269
N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965462
N-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 91965470
2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 82066585
2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965467
5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116633152
5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60634136
3-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 9280410
2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 106815207
N-ethyl-5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183200
4-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91964726

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol?
The IUPAC name of [5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol (CID 62194832) is [5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol.
What is the SMILES notation for [5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol?
The canonical SMILES for [5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol is CCCNc1nc(CO)nc2sc(C)c(C)c12.
What is the InChIKey of [5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol?
The InChIKey is PXDYCADWNPWCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-4-5-13-11-10-7(2)8(3)17-12(10)15-9(6-16)14-11/h16H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of [5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol?
[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol has a molecular weight of 251.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol is sourced from PubChem (CID 62194832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).