N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

C19H25N3O2 — CID 131945864

IUPACN-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOCCCN(Cc1ccc(C)cc1)C(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C19H25N3O2/c1-14-6-8-17(9-7-14)13-22(10-5-11-24-4)19(23)18-12-15(2)20-16(3)21-18/h6-9,12H,5,10-11,13H2,1-4H3
InChIKeySGPOAYLVOXJYKO-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds7

About N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 131945864) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID131945864
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOCCCN(Cc1ccc(C)cc1)C(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C19H25N3O2/c1-14-6-8-17(9-7-14)13-22(10-5-11-24-4)19(23)18-12-15(2)20-16(3)21-18/h6-9,12H,5,10-11,13H2,1-4H3
InChIKeySGPOAYLVOXJYKO-UHFFFAOYSA-N
XLogP3.08
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 77096489
2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 46988777
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
N-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylpyridine-2-carboxamide
CID 131912051
N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-5,6-dimethylpyridine-3-carboxamide
CID 74237938
N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 72866537
3-[(1R)-1-(4-hydroxyphenyl)ethyl]-1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]urea
CID 125447004
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 131939873
(2S,4S)-4-amino-N-(3-methoxypropyl)-1-methyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 56716049
2-amino-N-ethyl-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 114220314
N,N-diethyl-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323908
6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109327813

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 131945864) is N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is COCCCN(Cc1ccc(C)cc1)C(=O)c1cc(C)nc(C)n1.
What is the InChIKey of N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is SGPOAYLVOXJYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-6-8-17(9-7-14)13-22(10-5-11-24-4)19(23)18-12-15(2)20-16(3)21-18/h6-9,12H,5,10-11,13H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,6-dimethyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 131945864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).