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

C18H20N6O — CID 75204433

IUPAC5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCCc1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1
InChIInChI=1S/C18H20N6O/c1-2-13-10-20-16(21-11-13)18(25)22-14-5-8-24(12-14)17-15-4-3-7-23(15)9-6-19-17/h3-4,6-7,9-11,14H,2,5,8,12H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyIFOYKMNVNAIQKB-AWEZNQCLSA-N
MW336.40 g/mol
LogP1.70
Rot. Bonds4

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

5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (PubChem CID 75204433) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
PubChem CID75204433
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCCc1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1
InChIInChI=1S/C18H20N6O/c1-2-13-10-20-16(21-11-13)18(25)22-14-5-8-24(12-14)17-15-4-3-7-23(15)9-6-19-17/h3-4,6-7,9-11,14H,2,5,8,12H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyIFOYKMNVNAIQKB-AWEZNQCLSA-N
XLogP1.70
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (CID 75204433) is 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is CCc1cnc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)nc1.
What is the InChIKey of 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The InChIKey is IFOYKMNVNAIQKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-13-10-20-16(21-11-13)18(25)22-14-5-8-24(12-14)17-15-4-3-7-23(15)9-6-19-17/h3-4,6-7,9-11,14H,2,5,8,12H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 75204433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).