4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid

C13H20N4O2 — CID 114214734

IUPAC4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid
SMILESCN1CCC(C)(CNc2ncncc2C(=O)O)CC1
InChIInChI=1S/C13H20N4O2/c1-13(3-5-17(2)6-4-13)8-15-11-10(12(18)19)7-14-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,18,19)(H,14,15,16)
InChIKeyHWYOKCSKISHKST-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.32
Rot. Bonds4

About 4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid

4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid (PubChem CID 114214734) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid
PubChem CID114214734
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid
SMILESCN1CCC(C)(CNc2ncncc2C(=O)O)CC1
InChIInChI=1S/C13H20N4O2/c1-13(3-5-17(2)6-4-13)8-15-11-10(12(18)19)7-14-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,18,19)(H,14,15,16)
InChIKeyHWYOKCSKISHKST-UHFFFAOYSA-N
XLogP1.32
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 102975963
4-[(1-ethylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 114214842
6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
CID 107164229
6-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
CID 107164247
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate
CID 107164465
4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 28905979
4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 114214388
4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid
CID 114214142
5-bromo-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66341035
4-(hydroxyamino)pyrimidine-5-carboxylic acid
CID 127018723
4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine
CID 107163063
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 107164406

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid (CID 114214734) is 4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid is CN1CCC(C)(CNc2ncncc2C(=O)O)CC1.
What is the InChIKey of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid?
The InChIKey is HWYOKCSKISHKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(3-5-17(2)6-4-13)8-15-11-10(12(18)19)7-14-9-16-11/h7,9H,3-6,8H2,1-2H3,(H,18,19)(H,14,15,16).
What are the key properties of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid?
4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).