N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide

C14H18N4OS — CID 155952684

IUPACN-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC1CCN(CCNC(=O)c2ncnc3ccsc23)C1
InChIInChI=1S/C14H18N4OS/c1-10-2-5-18(8-10)6-4-15-14(19)12-13-11(3-7-20-13)16-9-17-12/h3,7,9-10H,2,4-6,8H2,1H3,(H,15,19)
InChIKeyZGCMFOBOLHTCAS-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.76
Rot. Bonds4

About N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide

N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155952684) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID155952684
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC1CCN(CCNC(=O)c2ncnc3ccsc23)C1
InChIInChI=1S/C14H18N4OS/c1-10-2-5-18(8-10)6-4-15-14(19)12-13-11(3-7-20-13)16-9-17-12/h3,7,9-10H,2,4-6,8H2,1H3,(H,15,19)
InChIKeyZGCMFOBOLHTCAS-UHFFFAOYSA-N
XLogP1.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide (CID 155952684) is N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide is CC1CCN(CCNC(=O)c2ncnc3ccsc23)C1.
What is the InChIKey of N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is ZGCMFOBOLHTCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-2-5-18(8-10)6-4-15-14(19)12-13-11(3-7-20-13)16-9-17-12/h3,7,9-10H,2,4-6,8H2,1H3,(H,15,19).
What are the key properties of N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrrolidin-1-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155952684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).