2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide

C16H15N7O2 — CID 131896599

IUPAC2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(C3CC3)nc2)cc(-n2cnnn2)c1
InChIInChI=1S/C16H15N7O2/c1-25-14-5-12(4-13(6-14)23-9-19-21-22-23)20-16(24)11-7-17-15(18-8-11)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,24)
InChIKeyCYFQHVCRFZQXDT-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.59
Rot. Bonds5

About 2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide

2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide (PubChem CID 131896599) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
PubChem CID131896599
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc(C3CC3)nc2)cc(-n2cnnn2)c1
InChIInChI=1S/C16H15N7O2/c1-25-14-5-12(4-13(6-14)23-9-19-21-22-23)20-16(24)11-7-17-15(18-8-11)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,24)
InChIKeyCYFQHVCRFZQXDT-UHFFFAOYSA-N
XLogP1.59
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 4155435
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CID 154912324
3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
CID 1231769
2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide
CID 131935094
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea
CID 74247300
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 125172198
1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131924947
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97437208
formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 154915325
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26705752
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide (CID 131896599) is 2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide is COc1cc(NC(=O)c2cnc(C3CC3)nc2)cc(-n2cnnn2)c1.
What is the InChIKey of 2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is CYFQHVCRFZQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c1-25-14-5-12(4-13(6-14)23-9-19-21-22-23)20-16(24)11-7-17-15(18-8-11)10-2-3-10/h4-10H,2-3H2,1H3,(H,20,24).
What are the key properties of 2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide?
2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 131896599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).