5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine

C18H24ClN3O3 — CID 158447088

IUPAC5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine
SMILESCC(C)(C)N.COc1nc(C(=O)O)nc(C)c1Cc1ccccc1Cl
InChIInChI=1S/C14H13ClN2O3.C4H11N/c1-8-10(7-9-5-3-4-6-11(9)15)13(20-2)17-12(16-8)14(18)19;1-4(2,3)5/h3-6H,7H2,1-2H3,(H,18,19);5H2,1-3H3
InChIKeyHDNHEYVSPDTIKG-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.48
Rot. Bonds4

About 5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine

5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine (PubChem CID 158447088) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine
PubChem CID158447088
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine
SMILESCC(C)(C)N.COc1nc(C(=O)O)nc(C)c1Cc1ccccc1Cl
InChIInChI=1S/C14H13ClN2O3.C4H11N/c1-8-10(7-9-5-3-4-6-11(9)15)13(20-2)17-12(16-8)14(18)19;1-4(2,3)5/h3-6H,7H2,1-2H3,(H,18,19);5H2,1-3H3
InChIKeyHDNHEYVSPDTIKG-UHFFFAOYSA-N
XLogP3.48
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;[5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-yl]methanol
CID 157073818
magnesium;bis(5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylate);dihydrate
CID 161056174
5-[(2-chlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxylic acid
CID 142395221
4,5-bis[(2-chlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid
CID 142395274
6-[(2-chlorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 71695537
5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135475132
5-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135762505
ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate
CID 86683022
4-[5-[(2-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 46131267
ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
CID 53441221
[6-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3262969
5-[(2-chlorophenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienoxy]-2,6-dimethylpyrimidine
CID 142395285

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine (CID 158447088) is 5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine is CC(C)(C)N.COc1nc(C(=O)O)nc(C)c1Cc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine?
The InChIKey is HDNHEYVSPDTIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3.C4H11N/c1-8-10(7-9-5-3-4-6-11(9)15)13(20-2)17-12(16-8)14(18)19;1-4(2,3)5/h3-6H,7H2,1-2H3,(H,18,19);5H2,1-3H3.
What are the key properties of 5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine?
5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine has a molecular weight of 365.86 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-4-methoxy-6-methylpyrimidine-2-carboxylic acid;2-methylpropan-2-amine is sourced from PubChem (CID 158447088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).