2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid

C9H13N3O3 — CID 10679999

IUPAC2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid
SMILESCOCc1nc(N(C)C)ncc1C(=O)O
InChIInChI=1S/C9H13N3O3/c1-12(2)9-10-4-6(8(13)14)7(11-9)5-15-3/h4H,5H2,1-3H3,(H,13,14)
InChIKeyWTBFEGZAAAZKBU-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.39
Rot. Bonds4

About 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid

2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid (PubChem CID 10679999) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid
PubChem CID10679999
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid
SMILESCOCc1nc(N(C)C)ncc1C(=O)O
InChIInChI=1S/C9H13N3O3/c1-12(2)9-10-4-6(8(13)14)7(11-9)5-15-3/h4H,5H2,1-3H3,(H,13,14)
InChIKeyWTBFEGZAAAZKBU-UHFFFAOYSA-N
XLogP0.39
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 90787660
2-[cyclopropyl(methyl)amino]-4-ethylpyrimidine-5-carboxylic acid
CID 83838220
2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 131492339
N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide
CID 71700263
2-(1,3-benzodioxol-5-ylmethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 91905879
methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate
CID 14639204
ethyl 4-amino-2-(dimethylamino)pyrimidine-5-carboxylate
CID 71220661
4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid
CID 91905880
2-[2-(cyclohexen-1-yl)ethylamino]-4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 91915939
2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182043
ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 72879162
2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid
CID 67683783

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid (CID 10679999) is 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid is COCc1nc(N(C)C)ncc1C(=O)O.
What is the InChIKey of 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid?
The InChIKey is WTBFEGZAAAZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-12(2)9-10-4-6(8(13)14)7(11-9)5-15-3/h4H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid?
2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 10679999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).