2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide

C14H19N5O3 — CID 46968258

IUPAC2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCCn2ccnc2C)nc(OC)n1
InChIInChI=1S/C14H19N5O3/c1-10-15-6-8-19(10)7-4-5-16-13(20)11-9-12(21-2)18-14(17-11)22-3/h6,8-9H,4-5,7H2,1-3H3,(H,16,20)
InChIKeyUBGOXNQMCSJDOK-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.82
Rot. Bonds7

About 2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide

2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide (PubChem CID 46968258) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide
PubChem CID46968258
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCCn2ccnc2C)nc(OC)n1
InChIInChI=1S/C14H19N5O3/c1-10-15-6-8-19(10)7-4-5-16-13(20)11-9-12(21-2)18-14(17-11)22-3/h6,8-9H,4-5,7H2,1-3H3,(H,16,20)
InChIKeyUBGOXNQMCSJDOK-UHFFFAOYSA-N
XLogP0.82
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-ethyl-6-methoxypyrimidine-4-carboxamide
CID 122180007
6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628546
6-methoxy-N-(2-(3-methyl-6-oxopyridazin-1(6H)-yl)ethyl)pyrimidine-4-carboxamide
CID 91628569
N-(3-(1H-imidazol-1-yl)propyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789303
6-methoxy-N-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethyl)pyrimidine-4-carboxamide
CID 91628563
6-methoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide
CID 91628565
2,6-dimethoxy-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-4-pyrimidinecarboxamide
CID 28909699
N-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 164635280
6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 164636605
(6-methoxypyrimidin-4-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 171359869
6-methoxy-N,N-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 177659737
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-(3-methylimidazol-4-yl)-6-(oxan-4-ylmethoxy)pyrimidine-4-carboxamide
CID 177999826

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide (CID 46968258) is 2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide is COc1cc(C(=O)NCCCn2ccnc2C)nc(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide?
The InChIKey is UBGOXNQMCSJDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-10-15-6-8-19(10)7-4-5-16-13(20)11-9-12(21-2)18-14(17-11)22-3/h6,8-9H,4-5,7H2,1-3H3,(H,16,20).
What are the key properties of 2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide?
2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 46968258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).