4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid

C14H22N4O2 — CID 83181099

IUPAC4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(N(C)CC2CCN(C)CC2)ncc1C(=O)O
InChIInChI=1S/C14H22N4O2/c1-10-12(13(19)20)8-15-14(16-10)18(3)9-11-4-6-17(2)7-5-11/h8,11H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyVJSAOQCGTLMKMS-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.26
Rot. Bonds4

About 4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid

4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid (PubChem CID 83181099) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid
PubChem CID83181099
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(N(C)CC2CCN(C)CC2)ncc1C(=O)O
InChIInChI=1S/C14H22N4O2/c1-10-12(13(19)20)8-15-14(16-10)18(3)9-11-4-6-17(2)7-5-11/h8,11H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyVJSAOQCGTLMKMS-UHFFFAOYSA-N
XLogP1.26
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid
CID 83181466
6-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carboxylic acid
CID 107553927
2-[cyclopropyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181070
2-[hexyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 91210438
4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid
CID 83181767
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547438
[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184195
2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181146
2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181799
2-methyl-2-[2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]-4-morpholin-4-ylpyrimidin-5-yl]propanoic acid
CID 97434580
6-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-3-carbaldehyde
CID 80632585
2-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 80576870

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid (CID 83181099) is 4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid is Cc1nc(N(C)CC2CCN(C)CC2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid?
The InChIKey is VJSAOQCGTLMKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-12(13(19)20)8-15-14(16-10)18(3)9-11-4-6-17(2)7-5-11/h8,11H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid?
4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).