N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine

C13H18N4S — CID 113222136

IUPACN-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(CNc1ncnc2sccc12)N1CCCC1
InChIInChI=1S/C13H18N4S/c1-10(17-5-2-3-6-17)8-14-12-11-4-7-18-13(11)16-9-15-12/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15,16)
InChIKeyXZTPWVRDZVGSSC-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.59
Rot. Bonds4

About N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 113222136) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID113222136
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(CNc1ncnc2sccc12)N1CCCC1
InChIInChI=1S/C13H18N4S/c1-10(17-5-2-3-6-17)8-14-12-11-4-7-18-13(11)16-9-15-12/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15,16)
InChIKeyXZTPWVRDZVGSSC-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 71684939
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 52677951
N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]thieno[2,3-d]pyrimidin-4-amine
CID 51891886
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 4798081
N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 94811571
1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
CID 115622916
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 112727052
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
1-(2-methylpropoxy)-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-2-ol
CID 56684752
1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one
CID 39948758
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17418626

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 113222136) is N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine is CC(CNc1ncnc2sccc12)N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XZTPWVRDZVGSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10(17-5-2-3-6-17)8-14-12-11-4-7-18-13(11)16-9-15-12/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15,16).
What are the key properties of N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 113222136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).