2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide

C19H23N3O3 — CID 74232869

IUPAC2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCCOc1c(CNC(=O)c2cnc(C3CC3)nc2)cccc1OC
InChIInChI=1S/C19H23N3O3/c1-3-9-25-17-14(5-4-6-16(17)24-2)10-22-19(23)15-11-20-18(21-12-15)13-7-8-13/h4-6,11-13H,3,7-10H2,1-2H3,(H,22,23)
InChIKeyZMTJKKAAOMAICF-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.08
Rot. Bonds8

About 2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide

2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 74232869) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID74232869
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCCOc1c(CNC(=O)c2cnc(C3CC3)nc2)cccc1OC
InChIInChI=1S/C19H23N3O3/c1-3-9-25-17-14(5-4-6-16(17)24-2)10-22-19(23)15-11-20-18(21-12-15)13-7-8-13/h4-6,11-13H,3,7-10H2,1-2H3,(H,22,23)
InChIKeyZMTJKKAAOMAICF-UHFFFAOYSA-N
XLogP3.08
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048
N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149720
N-[(3-methoxy-2-propoxyphenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 122572832
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide
CID 22686324
N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149665
3-bromo-N-[(2-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 8869293

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide (CID 74232869) is 2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide is CCCOc1c(CNC(=O)c2cnc(C3CC3)nc2)cccc1OC.
What is the InChIKey of 2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is ZMTJKKAAOMAICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-9-25-17-14(5-4-6-16(17)24-2)10-22-19(23)15-11-20-18(21-12-15)13-7-8-13/h4-6,11-13H,3,7-10H2,1-2H3,(H,22,23).
What are the key properties of 2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3-methoxy-2-propoxyphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74232869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).