N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide

C15H19N7O — CID 56920499

IUPACN-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNc1cc(N2CCCC2)ncn1)c1cnccn1
InChIInChI=1S/C15H19N7O/c23-15(12-10-16-3-4-17-12)19-6-5-18-13-9-14(21-11-20-13)22-7-1-2-8-22/h3-4,9-11H,1-2,5-8H2,(H,19,23)(H,18,20,21)
InChIKeyUORNTMIAOZJOMZ-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.71
Rot. Bonds6

About N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide

N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide (PubChem CID 56920499) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide
PubChem CID56920499
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNc1cc(N2CCCC2)ncn1)c1cnccn1
InChIInChI=1S/C15H19N7O/c23-15(12-10-16-3-4-17-12)19-6-5-18-13-9-14(21-11-20-13)22-7-1-2-8-22/h3-4,9-11H,1-2,5-8H2,(H,19,23)(H,18,20,21)
InChIKeyUORNTMIAOZJOMZ-UHFFFAOYSA-N
XLogP0.71
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-7-pentyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione
CID 663556
N-tert-butyl-8-(4-pyrimidin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 44415532
3-amino-5-(azepan-1-yl)-N-(diaminomethylidene)-6-(pyrimidin-2-ylamino)pyrazine-2-carboxamide
CID 146029521
N-{2-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]ethyl}-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 121427030
N-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazine-2-carboxamide
CID 44410107
thiomorpholino(1-(6-thiomorpholinopyrimidin-4-yl)-1H-imidazol-4-yl)methanone
CID 49667446
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}pyrazine-2-carboxamide
CID 49687691
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one
CID 53592170
[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 53602141
(3-Aminopyrazin-2-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 53611364
N-[6-(4-Methylpiperazin-1-YL)pyrimidin-4-YL]pyrazine-2-carboxamide
CID 71794816
N-(6-morpholinopyrimidin-4-yl)pyrazine-2-carboxamide
CID 71794856

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide (CID 56920499) is N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide is O=C(NCCNc1cc(N2CCCC2)ncn1)c1cnccn1.
What is the InChIKey of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is UORNTMIAOZJOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c23-15(12-10-16-3-4-17-12)19-6-5-18-13-9-14(21-11-20-13)22-7-1-2-8-22/h3-4,9-11H,1-2,5-8H2,(H,19,23)(H,18,20,21).
What are the key properties of N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide?
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 56920499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).