2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine

C15H22N4S — CID 62181908

IUPAC2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN2CCC(C)C2)nc2sccc12
InChIInChI=1S/C15H22N4S/c1-3-6-16-14-12-5-8-20-15(12)18-13(17-14)10-19-7-4-11(2)9-19/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyLYHWARNWHGEYFR-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.36
Rot. Bonds5

About 2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine

2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62181908) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62181908
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CN2CCC(C)C2)nc2sccc12
InChIInChI=1S/C15H22N4S/c1-3-6-16-14-12-5-8-20-15(12)18-13(17-14)10-19-7-4-11(2)9-19/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyLYHWARNWHGEYFR-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184565
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 104960510
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63218023
[2-[(3,5-dimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244605
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 102966683
3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one
CID 62208702

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 62181908) is 2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CN2CCC(C)C2)nc2sccc12.
What is the InChIKey of 2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LYHWARNWHGEYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-6-16-14-12-5-8-20-15(12)18-13(17-14)10-19-7-4-11(2)9-19/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 290.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62181908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).