2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C15H20N6O3 — CID 70727687

IUPAC2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C15H20N6O3/c1-9(13-20-17-8-21(13)5-6-24-2)18-14(22)11-7-16-12(10-3-4-10)19-15(11)23/h7-10H,3-6H2,1-2H3,(H,18,22)(H,16,19,23)
InChIKeyHMTCYMIDGNQBME-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.38
Rot. Bonds7

About 2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70727687) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70727687
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C15H20N6O3/c1-9(13-20-17-8-21(13)5-6-24-2)18-14(22)11-7-16-12(10-3-4-10)19-15(11)23/h7-10H,3-6H2,1-2H3,(H,18,22)(H,16,19,23)
InChIKeyHMTCYMIDGNQBME-UHFFFAOYSA-N
XLogP0.38
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70727687) is 2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is COCCn1cnnc1C(C)NC(=O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is HMTCYMIDGNQBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-9(13-20-17-8-21(13)5-6-24-2)18-14(22)11-7-16-12(10-3-4-10)19-15(11)23/h7-10H,3-6H2,1-2H3,(H,18,22)(H,16,19,23).
What are the key properties of 2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70727687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).