1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one

C15H16N4OS — CID 62881532

IUPAC1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one
SMILESCCCNc1nc(Cn2ccc(=O)cc2)nc2sccc12
InChIInChI=1S/C15H16N4OS/c1-2-6-16-14-12-5-9-21-15(12)18-13(17-14)10-19-7-3-11(20)4-8-19/h3-5,7-9H,2,6,10H2,1H3,(H,16,17,18)
InChIKeyYIRDLJLBCBDUQB-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.72
Rot. Bonds5

About 1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one

1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one (PubChem CID 62881532) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one
PubChem CID62881532
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one
SMILESCCCNc1nc(Cn2ccc(=O)cc2)nc2sccc12
InChIInChI=1S/C15H16N4OS/c1-2-6-16-14-12-5-9-21-15(12)18-13(17-14)10-19-7-3-11(20)4-8-19/h3-5,7-9H,2,6,10H2,1H3,(H,16,17,18)
InChIKeyYIRDLJLBCBDUQB-UHFFFAOYSA-N
XLogP2.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 62209192
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614
3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one
CID 62208702
N-ethyl-2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62208153
2-[[methyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62182738
N-propyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189011
2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62181908
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63218023
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-(butan-2-yloxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188539
2-[[2,2-dimethylpropyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62208085

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one?
The IUPAC name of 1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one (CID 62881532) is 1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one.
What is the SMILES notation for 1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one?
The canonical SMILES for 1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one is CCCNc1nc(Cn2ccc(=O)cc2)nc2sccc12.
What is the InChIKey of 1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one?
The InChIKey is YIRDLJLBCBDUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-6-16-14-12-5-9-21-15(12)18-13(17-14)10-19-7-3-11(20)4-8-19/h3-5,7-9H,2,6,10H2,1H3,(H,16,17,18).
What are the key properties of 1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one?
1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one has a molecular weight of 300.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyridin-4-one is sourced from PubChem (CID 62881532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).