6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid

C15H17N3O2 — CID 82170163

IUPAC6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid
SMILESCc1ccccc1Cc1nc(C(=O)O)cc(N(C)C)n1
InChIInChI=1S/C15H17N3O2/c1-10-6-4-5-7-11(10)8-13-16-12(15(19)20)9-14(17-13)18(2)3/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyLNGYKMJLKAFBKC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.14
Rot. Bonds4

About 6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid

6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid (PubChem CID 82170163) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid
PubChem CID82170163
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid
SMILESCc1ccccc1Cc1nc(C(=O)O)cc(N(C)C)n1
InChIInChI=1S/C15H17N3O2/c1-10-6-4-5-7-11(10)8-13-16-12(15(19)20)9-14(17-13)18(2)3/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyLNGYKMJLKAFBKC-UHFFFAOYSA-N
XLogP2.14
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170133
2-benzyl-6-methylpyrimidine-4-carboxylic acid
CID 62746068
6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82170190
2-[2-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82295816
4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxylic acid
CID 116640956
6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
CID 82170225
2-(2-methylphenyl)acetic acid
CID 67440217
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
3-[(2-methylphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96610767
4-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82475569
2-methyl-1-[(2-methylphenyl)methyl]imidazole-4-carboxylic acid
CID 82288749

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid (CID 82170163) is 6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid is Cc1ccccc1Cc1nc(C(=O)O)cc(N(C)C)n1.
What is the InChIKey of 6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid?
The InChIKey is LNGYKMJLKAFBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-6-4-5-7-11(10)8-13-16-12(15(19)20)9-14(17-13)18(2)3/h4-7,9H,8H2,1-3H3,(H,19,20).
What are the key properties of 6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid?
6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82170163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).