4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide

C16H20N4O2 — CID 100613353

IUPAC4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOCc1ncc(C(=O)N(C)Cc2ccc(C)cc2)c(N)n1
InChIInChI=1S/C16H20N4O2/c1-11-4-6-12(7-5-11)9-20(2)16(21)13-8-18-14(10-22-3)19-15(13)17/h4-8H,9-10H2,1-3H3,(H2,17,18,19)
InChIKeyMRZSNBIHINSUEN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.79
Rot. Bonds5

About 4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide

4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 100613353) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID100613353
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOCc1ncc(C(=O)N(C)Cc2ccc(C)cc2)c(N)n1
InChIInChI=1S/C16H20N4O2/c1-11-4-6-12(7-5-11)9-20(2)16(21)13-8-18-14(10-22-3)19-15(13)17/h4-8H,9-10H2,1-3H3,(H2,17,18,19)
InChIKeyMRZSNBIHINSUEN-UHFFFAOYSA-N
XLogP1.79
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 105380304
2-amino-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 28798437
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62000237
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
CID 43458074
7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
CID 18114437
N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide
CID 42670112
N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99821404
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 100613353) is 4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is COCc1ncc(C(=O)N(C)Cc2ccc(C)cc2)c(N)n1.
What is the InChIKey of 4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is MRZSNBIHINSUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-4-6-12(7-5-11)9-20(2)16(21)13-8-18-14(10-22-3)19-15(13)17/h4-8H,9-10H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methoxymethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 100613353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).