N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide

C10H11N3O — CID 91439102

IUPACN-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide
SMILESC=C[C@@H]1C[C@H]1NC(=O)c1cncnc1
InChIInChI=1S/C10H11N3O/c1-2-7-3-9(7)13-10(14)8-4-11-6-12-5-8/h2,4-7,9H,1,3H2,(H,13,14)/t7-,9-/m1/s1
InChIKeyOHGLMGSDTDXOND-VXNVDRBHSA-N
MW189.22 g/mol
LogP0.78
Rot. Bonds3

About N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide

N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide (PubChem CID 91439102) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide
PubChem CID91439102
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide
SMILESC=C[C@@H]1C[C@H]1NC(=O)c1cncnc1
InChIInChI=1S/C10H11N3O/c1-2-7-3-9(7)13-10(14)8-4-11-6-12-5-8/h2,4-7,9H,1,3H2,(H,13,14)/t7-,9-/m1/s1
InChIKeyOHGLMGSDTDXOND-VXNVDRBHSA-N
XLogP0.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide (CID 91439102) is N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide is C=C[C@@H]1C[C@H]1NC(=O)c1cncnc1.
What is the InChIKey of N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide?
The InChIKey is OHGLMGSDTDXOND-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-7-3-9(7)13-10(14)8-4-11-6-12-5-8/h2,4-7,9H,1,3H2,(H,13,14)/t7-,9-/m1/s1.
What are the key properties of N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide?
N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-ethenylcyclopropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91439102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).