N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane

C11H18N4O — CID 144985882

IUPACN-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane
SMILESCC.Cc1c(N)ncnc1NC(=O)C1CC1
InChIInChI=1S/C9H12N4O.C2H6/c1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;1-2/h4,6H,2-3H2,1H3,(H3,10,11,12,13,14);1-2H3
InChIKeyLDSKFWPLEWNTIW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.74
Rot. Bonds2

About N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane

N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane (PubChem CID 144985882) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane.

Molecular Properties

Compound NameN-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane
PubChem CID144985882
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane
SMILESCC.Cc1c(N)ncnc1NC(=O)C1CC1
InChIInChI=1S/C9H12N4O.C2H6/c1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;1-2/h4,6H,2-3H2,1H3,(H3,10,11,12,13,14);1-2H3
InChIKeyLDSKFWPLEWNTIW-UHFFFAOYSA-N
XLogP1.74
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane?
The IUPAC name of N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane (CID 144985882) is N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane.
What is the SMILES notation for N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane?
The canonical SMILES for N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane is CC.Cc1c(N)ncnc1NC(=O)C1CC1.
What is the InChIKey of N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane?
The InChIKey is LDSKFWPLEWNTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O.C2H6/c1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;1-2/h4,6H,2-3H2,1H3,(H3,10,11,12,13,14);1-2H3.
What are the key properties of N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane?
N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane has a molecular weight of 222.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;ethane is sourced from PubChem (CID 144985882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).