1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide

C12H18N4O — CID 119752735

IUPAC1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)C2(N)CC2)cn1
InChIInChI=1S/C12H18N4O/c1-11(2,3)9-14-6-8(7-15-9)16-10(17)12(13)4-5-12/h6-7H,4-5,13H2,1-3H3,(H,16,17)
InChIKeyXAKPAZARRYDOSB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.20
Rot. Bonds2

About 1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide

1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide (PubChem CID 119752735) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide
PubChem CID119752735
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)C2(N)CC2)cn1
InChIInChI=1S/C12H18N4O/c1-11(2,3)9-14-6-8(7-15-9)16-10(17)12(13)4-5-12/h6-7H,4-5,13H2,1-3H3,(H,16,17)
InChIKeyXAKPAZARRYDOSB-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide (CID 119752735) is 1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide is CC(C)(C)c1ncc(NC(=O)C2(N)CC2)cn1.
What is the InChIKey of 1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is XAKPAZARRYDOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-11(2,3)9-14-6-8(7-15-9)16-10(17)12(13)4-5-12/h6-7H,4-5,13H2,1-3H3,(H,16,17).
What are the key properties of 1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide?
1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119752735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).