N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide

C11H16N4OS — CID 91779180

IUPACN-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CCN(C)C2)cn1
InChIInChI=1S/C11H16N4OS/c1-15-4-3-9(7-15)14-10(16)8-5-12-11(17-2)13-6-8/h5-6,9H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyPYMQNCSJWVODQE-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.63
Rot. Bonds3

About N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide

N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 91779180) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID91779180
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CCN(C)C2)cn1
InChIInChI=1S/C11H16N4OS/c1-15-4-3-9(7-15)14-10(16)8-5-12-11(17-2)13-6-8/h5-6,9H,3-4,7H2,1-2H3,(H,14,16)
InChIKeyPYMQNCSJWVODQE-UHFFFAOYSA-N
XLogP0.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide (CID 91779180) is N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NC2CCN(C)C2)cn1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is PYMQNCSJWVODQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-15-4-3-9(7-15)14-10(16)8-5-12-11(17-2)13-6-8/h5-6,9H,3-4,7H2,1-2H3,(H,14,16).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide?
N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 91779180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).