N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C17H29N5O — CID 91945484

IUPACN-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C17H29N5O/c1-13(2)14-12-15(16(23)18-8-7-9-21(3)4)20-17(19-14)22-10-5-6-11-22/h12-13H,5-11H2,1-4H3,(H,18,23)
InChIKeyOKIYGFTYWJHBCY-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.88
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 91945484) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID91945484
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C17H29N5O/c1-13(2)14-12-15(16(23)18-8-7-9-21(3)4)20-17(19-14)22-10-5-6-11-22/h12-13H,5-11H2,1-4H3,(H,18,23)
InChIKeyOKIYGFTYWJHBCY-UHFFFAOYSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 91945484) is N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CC(C)c1cc(C(=O)NCCCN(C)C)nc(N2CCCC2)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is OKIYGFTYWJHBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(2)14-12-15(16(23)18-8-7-9-21(3)4)20-17(19-14)22-10-5-6-11-22/h12-13H,5-11H2,1-4H3,(H,18,23).
What are the key properties of N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91945484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).