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

C11H16N4O2 — CID 116864964

IUPAC4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid
SMILESCN1CCC(c2ncc(C(=O)O)c(N)n2)CC1
InChIInChI=1S/C11H16N4O2/c1-15-4-2-7(3-5-15)10-13-6-8(11(16)17)9(12)14-10/h6-7H,2-5H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyXBUJFLPTTRRSQZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.57
Rot. Bonds2

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

4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid (PubChem CID 116864964) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid
PubChem CID116864964
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid
SMILESCN1CCC(c2ncc(C(=O)O)c(N)n2)CC1
InChIInChI=1S/C11H16N4O2/c1-15-4-2-7(3-5-15)10-13-6-8(11(16)17)9(12)14-10/h6-7H,2-5H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyXBUJFLPTTRRSQZ-UHFFFAOYSA-N
XLogP0.57
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-2-cyclopropylpyrimidin-5-yl)-(3-ethylazetidin-1-yl)methanone
CID 136547615
4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 116640989
(4-amino-2-cyclopropylpyrimidin-5-yl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 136548872
2-cyclobutyl-4-methylsulfanylpyrimidine-5-carboxylic acid
CID 83852465
5-(1-methylpiperidin-4-yl)pyrazine-2,3-diamine
CID 67362960
4-amino-2-(cyclopropylamino)pyrimidine-5-carboxylic acid
CID 116640912
methyl 4-(methylamino)-2-(1-methylpyrrolidin-3-yl)pyrimidine-5-carboxylate
CID 116865086
4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid
CID 65390332
4-amino-2-cyclopropyl-N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]pyrimidine-5-carboxamide
CID 136542835
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895
2-(4,4-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 65390070
2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid
CID 64986088

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid (CID 116864964) is 4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid is CN1CCC(c2ncc(C(=O)O)c(N)n2)CC1.
What is the InChIKey of 4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid?
The InChIKey is XBUJFLPTTRRSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15-4-2-7(3-5-15)10-13-6-8(11(16)17)9(12)14-10/h6-7H,2-5H2,1H3,(H,16,17)(H2,12,13,14).
What are the key properties of 4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid?
4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-methylpiperidin-4-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116864964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).