4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid

C10H12N2O3 — CID 102973559

IUPAC4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1COCC1CC1
InChIInChI=1S/C10H12N2O3/c13-10(14)8-3-11-6-12-9(8)5-15-4-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,13,14)
InChIKeyNZORZULCAJINAL-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.10
Rot. Bonds5

About 4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid

4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid (PubChem CID 102973559) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid
PubChem CID102973559
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1COCC1CC1
InChIInChI=1S/C10H12N2O3/c13-10(14)8-3-11-6-12-9(8)5-15-4-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,13,14)
InChIKeyNZORZULCAJINAL-UHFFFAOYSA-N
XLogP1.10
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate
CID 21220624
5-Pyrimidinecarboxylic acid, 2-amino-4-methyl-, ethyl ester
CID 459813
2-Cyclopropyl-4-methylpyrimidine-5-carboxylic acid
CID 22308493
2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 826981
Ethyl 2,4-dimethylpyrimidine-5-carboxylate
CID 295888
Ethyl 2-bromo-4-methylpyrimidine-5-carboxylate
CID 83180811
Cyclopropylmethyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 2808238
Diethyl 2-(dimethylamino)pyrimidine-4,5-dicarboxylate
CID 10492045
2-(Dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 10679999
Methyl 2-(dimethylamino)-4-(methoxymethyl)pyrimidine-5-carboxylate
CID 10704393
Ethyl 2-(dimethylamino)-4-methylpyrimidine-5-carboxylate
CID 44347430

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid (CID 102973559) is 4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1COCC1CC1.
What is the InChIKey of 4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid?
The InChIKey is NZORZULCAJINAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-10(14)8-3-11-6-12-9(8)5-15-4-7-1-2-7/h3,6-7H,1-2,4-5H2,(H,13,14).
What are the key properties of 4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid?
4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102973559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).