N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C14H20N4O — CID 6625172

IUPACN-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C14H20N4O/c19-13(17-12-5-1-2-6-12)11-9-15-14(16-10-11)18-7-3-4-8-18/h9-10,12H,1-8H2,(H,17,19)
InChIKeyIRSRPCTZNIMEDQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.75
Rot. Bonds3

About N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 6625172) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID6625172
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C14H20N4O/c19-13(17-12-5-1-2-6-12)11-9-15-14(16-10-11)18-7-3-4-8-18/h9-10,12H,1-8H2,(H,17,19)
InChIKeyIRSRPCTZNIMEDQ-UHFFFAOYSA-N
XLogP1.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 6625172) is N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is O=C(NC1CCCC1)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is IRSRPCTZNIMEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-13(17-12-5-1-2-6-12)11-9-15-14(16-10-11)18-7-3-4-8-18/h9-10,12H,1-8H2,(H,17,19).
What are the key properties of N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 6625172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).