3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane

C21H30N6O4 — CID 171655033

IUPAC3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.Cc1nc(NC=O)ccc1CNC(=O)C1CCc2ncc(N)c(=O)n21
InChIInChI=1S/C16H18N6O3.C5H12O/c1-9-10(2-4-13(21-9)20-8-23)6-19-15(24)12-3-5-14-18-7-11(17)16(25)22(12)14;1-5(2,3)6-4/h2,4,7-8,12H,3,5-6,17H2,1H3,(H,19,24)(H,20,21,23);1-4H3
InChIKeyNIAAEQQNJKNSAE-UHFFFAOYSA-N
MW430.51 g/mol
LogP1.33
Rot. Bonds5

About 3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane

3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane (PubChem CID 171655033) has the molecular formula C21H30N6O4 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane
PubChem CID171655033
Molecular FormulaC21H30N6O4
Molecular Weight430.51 g/mol
Exact Mass430.23
IUPAC Name3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.Cc1nc(NC=O)ccc1CNC(=O)C1CCc2ncc(N)c(=O)n21
InChIInChI=1S/C16H18N6O3.C5H12O/c1-9-10(2-4-13(21-9)20-8-23)6-19-15(24)12-3-5-14-18-7-11(17)16(25)22(12)14;1-5(2,3)6-4/h2,4,7-8,12H,3,5-6,17H2,1H3,(H,19,24)(H,20,21,23);1-4H3
InChIKeyNIAAEQQNJKNSAE-UHFFFAOYSA-N
XLogP1.33
TPSA141.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane?
The IUPAC name of 3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane (CID 171655033) is 3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane.
What is the SMILES notation for 3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane?
The canonical SMILES for 3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane is COC(C)(C)C.Cc1nc(NC=O)ccc1CNC(=O)C1CCc2ncc(N)c(=O)n21.
What is the InChIKey of 3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane?
The InChIKey is NIAAEQQNJKNSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3.C5H12O/c1-9-10(2-4-13(21-9)20-8-23)6-19-15(24)12-3-5-14-18-7-11(17)16(25)22(12)14;1-5(2,3)6-4/h2,4,7-8,12H,3,5-6,17H2,1H3,(H,19,24)(H,20,21,23);1-4H3.
What are the key properties of 3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane?
3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane has a molecular weight of 430.51 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-formamido-2-methyl-3-pyridinyl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide;2-methoxy-2-methylpropane is sourced from PubChem (CID 171655033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).