2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C14H17N5O2 — CID 136984778

IUPAC2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)[nH]c(=O)c1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C14H17N5O2/c1-8-11(14(21)19-12(18-8)9-2-3-9)13(20)17-5-4-10-15-6-7-16-10/h6-7,9H,2-5H2,1H3,(H,15,16)(H,17,20)(H,18,19,21)
InChIKeyMUAHASVNKSZYMH-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.65
Rot. Bonds5

About 2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136984778) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136984778
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)[nH]c(=O)c1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C14H17N5O2/c1-8-11(14(21)19-12(18-8)9-2-3-9)13(20)17-5-4-10-15-6-7-16-10/h6-7,9H,2-5H2,1H3,(H,15,16)(H,17,20)(H,18,19,21)
InChIKeyMUAHASVNKSZYMH-UHFFFAOYSA-N
XLogP0.65
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136984778) is 2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C2CC2)[nH]c(=O)c1C(=O)NCCc1ncc[nH]1.
What is the InChIKey of 2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is MUAHASVNKSZYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-8-11(14(21)19-12(18-8)9-2-3-9)13(20)17-5-4-10-15-6-7-16-10/h6-7,9H,2-5H2,1H3,(H,15,16)(H,17,20)(H,18,19,21).
What are the key properties of 2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(1H-imidazol-2-yl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136984778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).