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

C13H20N6OS — CID 103329585

IUPAC2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea
SMILESCCCNc1nc(NCCNC(N)=O)c2cc(C)sc2n1
InChIInChI=1S/C13H20N6OS/c1-3-4-17-13-18-10(15-5-6-16-12(14)20)9-7-8(2)21-11(9)19-13/h7H,3-6H2,1-2H3,(H3,14,16,20)(H2,15,17,18,19)
InChIKeyDTKCBYYHSRHJQL-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.90
Rot. Bonds7

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

2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea (PubChem CID 103329585) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea.

Molecular Properties

Compound Name2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea
PubChem CID103329585
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea
SMILESCCCNc1nc(NCCNC(N)=O)c2cc(C)sc2n1
InChIInChI=1S/C13H20N6OS/c1-3-4-17-13-18-10(15-5-6-16-12(14)20)9-7-8(2)21-11(9)19-13/h7H,3-6H2,1-2H3,(H3,14,16,20)(H2,15,17,18,19)
InChIKeyDTKCBYYHSRHJQL-UHFFFAOYSA-N
XLogP1.90
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 106178963
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330356
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
4-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103325302
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
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
[1-[[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329347
6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea?
The IUPAC name of 2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea (CID 103329585) is 2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea.
What is the SMILES notation for 2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea?
The canonical SMILES for 2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea is CCCNc1nc(NCCNC(N)=O)c2cc(C)sc2n1.
What is the InChIKey of 2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea?
The InChIKey is DTKCBYYHSRHJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-3-4-17-13-18-10(15-5-6-16-12(14)20)9-7-8(2)21-11(9)19-13/h7H,3-6H2,1-2H3,(H3,14,16,20)(H2,15,17,18,19).
What are the key properties of 2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea?
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea has a molecular weight of 308.41 g/mol, XLogP of 1.90, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea is sourced from PubChem (CID 103329585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).