N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide

C15H21N5O2 — CID 91830010

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1ccnc(C(C)C)n1
InChIInChI=1S/C15H21N5O2/c1-11(2)14-17-5-4-13(19-14)15(21)18-9-12-8-16-10-20(12)6-7-22-3/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyZUBBOHLKKPEAFF-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.37
Rot. Bonds7

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 91830010) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID91830010
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1ccnc(C(C)C)n1
InChIInChI=1S/C15H21N5O2/c1-11(2)14-17-5-4-13(19-14)15(21)18-9-12-8-16-10-20(12)6-7-22-3/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyZUBBOHLKKPEAFF-UHFFFAOYSA-N
XLogP1.37
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 91830010) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide is COCCn1cncc1CNC(=O)c1ccnc(C(C)C)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is ZUBBOHLKKPEAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11(2)14-17-5-4-13(19-14)15(21)18-9-12-8-16-10-20(12)6-7-22-3/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,18,21).
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91830010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).