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

C14H21N5OS — CID 103330356

IUPAC3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
SMILESCCCNc1nc(NC(C)CC(N)=O)c2cc(C)sc2n1
InChIInChI=1S/C14H21N5OS/c1-4-5-16-14-18-12(17-8(2)6-11(15)20)10-7-9(3)21-13(10)19-14/h7-8H,4-6H2,1-3H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyLJAQMBGAXHGECN-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.50
Rot. Bonds7

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

3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide (PubChem CID 103330356) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide.

Molecular Properties

Compound Name3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
PubChem CID103330356
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
SMILESCCCNc1nc(NC(C)CC(N)=O)c2cc(C)sc2n1
InChIInChI=1S/C14H21N5OS/c1-4-5-16-14-18-12(17-8(2)6-11(15)20)10-7-9(3)21-13(10)19-14/h7-8H,4-6H2,1-3H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyLJAQMBGAXHGECN-UHFFFAOYSA-N
XLogP2.50
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324859
3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330351
6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330173
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324235
6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240
2-hydroxy-3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propanamide
CID 106178963
2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethylurea
CID 103329585
4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327093
4-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329470
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
4-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103325302
2-methyl-2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324837

Frequently Asked Questions

What is the IUPAC name of 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide?
The IUPAC name of 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide (CID 103330356) is 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide.
What is the SMILES notation for 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide?
The canonical SMILES for 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide is CCCNc1nc(NC(C)CC(N)=O)c2cc(C)sc2n1.
What is the InChIKey of 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide?
The InChIKey is LJAQMBGAXHGECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-4-5-16-14-18-12(17-8(2)6-11(15)20)10-7-9(3)21-13(10)19-14/h7-8H,4-6H2,1-3H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide?
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide has a molecular weight of 307.42 g/mol, XLogP of 2.50, 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]butanamide is sourced from PubChem (CID 103330356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).