3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol

C13H20N4OS — CID 103324486

IUPAC3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1nc(NCCCO)c2cc(C)sc2n1
InChIInChI=1S/C13H20N4OS/c1-3-5-15-13-16-11(14-6-4-7-18)10-8-9(2)19-12(10)17-13/h8,18H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyUNGUKCTVPFXSMN-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.62
Rot. Bonds7

About 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol

3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 103324486) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
PubChem CID103324486
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1nc(NCCCO)c2cc(C)sc2n1
InChIInChI=1S/C13H20N4OS/c1-3-5-15-13-16-11(14-6-4-7-18)10-8-9(2)19-12(10)17-13/h8,18H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyUNGUKCTVPFXSMN-UHFFFAOYSA-N
XLogP2.62
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
6-methyl-4-N-(2-methylsulfanylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328024
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255
4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325198
2-methyl-2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324837
3-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropan-1-ol
CID 103335156
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea
CID 103329585
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859
[1-[[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329347
2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311471
2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 106178963

Frequently Asked Questions

What is the IUPAC name of 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol (CID 103324486) is 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol is CCCNc1nc(NCCCO)c2cc(C)sc2n1.
What is the InChIKey of 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is UNGUKCTVPFXSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-3-5-15-13-16-11(14-6-4-7-18)10-8-9(2)19-12(10)17-13/h8,18H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 280.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 103324486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).