2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide

C11H16N4O2 — CID 114220508

IUPAC2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide
SMILESCOC1CC(NC(=O)c2cc(C)nc(N)n2)C1
InChIInChI=1S/C11H16N4O2/c1-6-3-9(15-11(12)13-6)10(16)14-7-4-8(5-7)17-2/h3,7-8H,4-5H2,1-2H3,(H,14,16)(H2,12,13,15)
InChIKeyIUHLVGZLJHYPJL-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.27
Rot. Bonds3

About 2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide

2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 114220508) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide
PubChem CID114220508
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide
SMILESCOC1CC(NC(=O)c2cc(C)nc(N)n2)C1
InChIInChI=1S/C11H16N4O2/c1-6-3-9(15-11(12)13-6)10(16)14-7-4-8(5-7)17-2/h3,7-8H,4-5H2,1-2H3,(H,14,16)(H2,12,13,15)
InChIKeyIUHLVGZLJHYPJL-UHFFFAOYSA-N
XLogP0.27
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide (CID 114220508) is 2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide is COC1CC(NC(=O)c2cc(C)nc(N)n2)C1.
What is the InChIKey of 2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is IUHLVGZLJHYPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-6-3-9(15-11(12)13-6)10(16)14-7-4-8(5-7)17-2/h3,7-8H,4-5H2,1-2H3,(H,14,16)(H2,12,13,15).
What are the key properties of 2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide?
2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxycyclobutyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114220508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).