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

C15H22N4OS — CID 103328302

IUPAC4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(N2CCC(COC)C2)c2ccsc2n1
InChIInChI=1S/C15H22N4OS/c1-3-6-16-15-17-13(12-5-8-21-14(12)18-15)19-7-4-11(9-19)10-20-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyJVTFFEHQVZPHIV-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.99
Rot. Bonds6

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

4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103328302) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103328302
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCNc1nc(N2CCC(COC)C2)c2ccsc2n1
InChIInChI=1S/C15H22N4OS/c1-3-6-16-15-17-13(12-5-8-21-14(12)18-15)19-7-4-11(9-19)10-20-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyJVTFFEHQVZPHIV-UHFFFAOYSA-N
XLogP2.99
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine
CID 103328306
N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329872
N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103325584
N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323789
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propyl-7H-purin-2-amine
CID 114785384
[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 103329632
1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674469
4-(cyclopentylmethoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332973
methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate
CID 72839733
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
4-N-(2-cyclobutylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330068
5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80844726

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine (CID 103328302) is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine is CCCNc1nc(N2CCC(COC)C2)c2ccsc2n1.
What is the InChIKey of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is JVTFFEHQVZPHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-6-16-15-17-13(12-5-8-21-14(12)18-15)19-7-4-11(9-19)10-20-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine?
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 306.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103328302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).