2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine

C18H21N5O — CID 139017886

IUPAC2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCc2ncc(-c3ccc(C)cc3)[nH]2)n1
InChIInChI=1S/C18H21N5O/c1-12-4-6-14(7-5-12)15-9-19-17(22-15)10-20-16-8-13(2)21-18(23-16)11-24-3/h4-9H,10-11H2,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyLRHFJYAAUQAWGI-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.24
Rot. Bonds6

About 2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine

2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine (PubChem CID 139017886) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine
PubChem CID139017886
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCc2ncc(-c3ccc(C)cc3)[nH]2)n1
InChIInChI=1S/C18H21N5O/c1-12-4-6-14(7-5-12)15-9-19-17(22-15)10-20-16-8-13(2)21-18(23-16)11-24-3/h4-9H,10-11H2,1-3H3,(H,19,22)(H,20,21,23)
InChIKeyLRHFJYAAUQAWGI-UHFFFAOYSA-N
XLogP3.24
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 154784305
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate
CID 127266672
N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 126837755
N-[[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]methyl]ethanamine
CID 116877341
[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol
CID 133434753
2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine
CID 138053604
6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 70949618
7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
CID 71461745
2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine
CID 133375431
6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
CID 138018974
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(methoxymethyl)aniline
CID 99578177

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine (CID 139017886) is 2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine is COCc1nc(C)cc(NCc2ncc(-c3ccc(C)cc3)[nH]2)n1.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is LRHFJYAAUQAWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-4-6-14(7-5-12)15-9-19-17(22-15)10-20-16-8-13(2)21-18(23-16)11-24-3/h4-9H,10-11H2,1-3H3,(H,19,22)(H,20,21,23).
What are the key properties of 2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine?
2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 139017886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).