5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide

C18H21N7O — CID 75203474

IUPAC5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCN(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1
InChIInChI=1S/C18H21N7O/c1-23(2)14-10-20-16(21-11-14)18(26)22-13-5-8-25(12-13)17-15-4-3-7-24(15)9-6-19-17/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3,(H,22,26)/t13-/m0/s1
InChIKeyJGTVQPDBVWPOTM-ZDUSSCGKSA-N
MW351.41 g/mol
LogP1.20
Rot. Bonds4

About 5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide

5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (PubChem CID 75203474) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
PubChem CID75203474
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCN(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1
InChIInChI=1S/C18H21N7O/c1-23(2)14-10-20-16(21-11-14)18(26)22-13-5-8-25(12-13)17-15-4-3-7-24(15)9-6-19-17/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3,(H,22,26)/t13-/m0/s1
InChIKeyJGTVQPDBVWPOTM-ZDUSSCGKSA-N
XLogP1.20
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of 5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (CID 75203474) is 5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is CN(C)c1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1.
What is the InChIKey of 5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The InChIKey is JGTVQPDBVWPOTM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N7O/c1-23(2)14-10-20-16(21-11-14)18(26)22-13-5-8-25(12-13)17-15-4-3-7-24(15)9-6-19-17/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3,(H,22,26)/t13-/m0/s1.
What are the key properties of 5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 75203474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).