N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide

C9H15N3O2 — CID 175870344

IUPACN-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide
SMILESCON(C)C(=O)C1=NCN(C)C(C)=C1
InChIInChI=1S/C9H15N3O2/c1-7-5-8(10-6-11(7)2)9(13)12(3)14-4/h5H,6H2,1-4H3
InChIKeyKURZXLSFBSWIST-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.25
Rot. Bonds2

About N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide

N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide (PubChem CID 175870344) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide
PubChem CID175870344
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide
SMILESCON(C)C(=O)C1=NCN(C)C(C)=C1
InChIInChI=1S/C9H15N3O2/c1-7-5-8(10-6-11(7)2)9(13)12(3)14-4/h5H,6H2,1-4H3
InChIKeyKURZXLSFBSWIST-UHFFFAOYSA-N
XLogP0.25
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide?
The IUPAC name of N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide (CID 175870344) is N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide?
The canonical SMILES for N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide is CON(C)C(=O)C1=NCN(C)C(C)=C1.
What is the InChIKey of N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide?
The InChIKey is KURZXLSFBSWIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-5-8(10-6-11(7)2)9(13)12(3)14-4/h5H,6H2,1-4H3.
What are the key properties of N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide?
N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,1,6-trimethyl-2H-pyrimidine-4-carboxamide is sourced from PubChem (CID 175870344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).