N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+)

C15H17N6O2Rb — CID 171655102

IUPACN-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+)
SMILESCNc1cnc2n(c1=O)C(C(=O)NCc1[c-]nc(N)cc1)CC2.[Rb+]
InChIInChI=1S/C15H17N6O2.Rb/c1-17-10-8-19-13-5-3-11(21(13)15(10)23)14(22)20-7-9-2-4-12(16)18-6-9;/h2,4,8,11,17H,3,5,7H2,1H3,(H2,16,18)(H,20,22);/q-1;+1
InChIKeyACAYJSUOQJVOAX-UHFFFAOYSA-N
MW398.81 g/mol
LogP-3.13
Rot. Bonds4

About N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+)

N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+) (PubChem CID 171655102) has the molecular formula C15H17N6O2Rb and a molecular weight of 398.81 g/mol. Its IUPAC name is N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+).

Molecular Properties

Compound NameN-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+)
PubChem CID171655102
Molecular FormulaC15H17N6O2Rb
Molecular Weight398.81 g/mol
Exact Mass398.05
IUPAC NameN-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+)
SMILESCNc1cnc2n(c1=O)C(C(=O)NCc1[c-]nc(N)cc1)CC2.[Rb+]
InChIInChI=1S/C15H17N6O2.Rb/c1-17-10-8-19-13-5-3-11(21(13)15(10)23)14(22)20-7-9-2-4-12(16)18-6-9;/h2,4,8,11,17H,3,5,7H2,1H3,(H2,16,18)(H,20,22);/q-1;+1
InChIKeyACAYJSUOQJVOAX-UHFFFAOYSA-N
XLogP-3.13
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 5-3.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+) with MolForge

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Related Compounds

N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655111
7-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 172859377
(5S)-5-[(4H-pyrido[1,2-a]pyrimidin-7-ylmethylamino)methyl]pyrrolidin-2-one
CID 175900169
3-methyl-N-[4-oxo-7-(pyrrolidine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]butanamide
CID 44782843
N-cyclopropyl-1-(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
CID 78857604
N-[[1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120025352
1-methyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 154763108
N-[(E,2E)-2-ethylidene-4-[[(Z)-prop-1-enyl]iminomethyl]hept-3-enyl]-1-methyl-5-[(E)-3-oxo-2-[[(Z)-2-(propan-2-yliminomethyl)but-2-enyl]amino]prop-1-enyl]iminopyrrolidine-2-carboxamide
CID 178139097

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+)?
The IUPAC name of N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+) (CID 171655102) is N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+).
What is the SMILES notation for N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+)?
The canonical SMILES for N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+) is CNc1cnc2n(c1=O)C(C(=O)NCc1[c-]nc(N)cc1)CC2.[Rb+].
What is the InChIKey of N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+)?
The InChIKey is ACAYJSUOQJVOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N6O2.Rb/c1-17-10-8-19-13-5-3-11(21(13)15(10)23)14(22)20-7-9-2-4-12(16)18-6-9;/h2,4,8,11,17H,3,5,7H2,1H3,(H2,16,18)(H,20,22);/q-1;+1.
What are the key properties of N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+)?
N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+) has a molecular weight of 398.81 g/mol, XLogP of -3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2H-pyridin-2-id-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;rubidium(1+) is sourced from PubChem (CID 171655102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).