5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid

C14H19N7O4 — CID 159466593

IUPAC5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid
SMILESCC(C)(O)CNC(=O)c1ncncc1N.Nc1cncnc1C(=O)O
InChIInChI=1S/C9H14N4O2.C5H5N3O2/c1-9(2,15)4-12-8(14)7-6(10)3-11-5-13-7;6-3-1-7-2-8-4(3)5(9)10/h3,5,15H,4,10H2,1-2H3,(H,12,14);1-2H,6H2,(H,9,10)
InChIKeyLVGLRDWSYMSEED-UHFFFAOYSA-N
MW349.35 g/mol
LogP-0.68
Rot. Bonds4

About 5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid

5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid (PubChem CID 159466593) has the molecular formula C14H19N7O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid
PubChem CID159466593
Molecular FormulaC14H19N7O4
Molecular Weight349.35 g/mol
Exact Mass349.15
IUPAC Name5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid
SMILESCC(C)(O)CNC(=O)c1ncncc1N.Nc1cncnc1C(=O)O
InChIInChI=1S/C9H14N4O2.C5H5N3O2/c1-9(2,15)4-12-8(14)7-6(10)3-11-5-13-7;6-3-1-7-2-8-4(3)5(9)10/h3,5,15H,4,10H2,1-2H3,(H,12,14);1-2H,6H2,(H,9,10)
InChIKeyLVGLRDWSYMSEED-UHFFFAOYSA-N
XLogP-0.68
TPSA190.23 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 5-0.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid?
The IUPAC name of 5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid (CID 159466593) is 5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid?
The canonical SMILES for 5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid is CC(C)(O)CNC(=O)c1ncncc1N.Nc1cncnc1C(=O)O.
What is the InChIKey of 5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid?
The InChIKey is LVGLRDWSYMSEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2.C5H5N3O2/c1-9(2,15)4-12-8(14)7-6(10)3-11-5-13-7;6-3-1-7-2-8-4(3)5(9)10/h3,5,15H,4,10H2,1-2H3,(H,12,14);1-2H,6H2,(H,9,10).
What are the key properties of 5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid?
5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid has a molecular weight of 349.35 g/mol, XLogP of -0.68, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-2-methylpropyl)pyrimidine-4-carboxamide;5-aminopyrimidine-4-carboxylic acid is sourced from PubChem (CID 159466593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).