N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide

C16H20N4O2 — CID 109323750

IUPACN-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c1-12-11-14(15(21)17-9-10-22-3)19-16(18-12)20(2)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,17,21)
InChIKeyNUDKMWKGFNWBCB-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.93
Rot. Bonds6

About N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide

N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109323750) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID109323750
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c1-12-11-14(15(21)17-9-10-22-3)19-16(18-12)20(2)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,17,21)
InChIKeyNUDKMWKGFNWBCB-UHFFFAOYSA-N
XLogP1.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-(N-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327712
6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334971
N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109335215
2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324083
2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332530
2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
CID 109320759
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
2-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328220
N-[3-(dimethylamino)propyl]-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109301923
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109323722
2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330461
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide (CID 109323750) is N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide is COCCNC(=O)c1cc(C)nc(N(C)c2ccccc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is NUDKMWKGFNWBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-11-14(15(21)17-9-10-22-3)19-16(18-12)20(2)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,17,21).
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide?
N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109323750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).