1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid

C10H16N4O2 — CID 170957541

IUPAC1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid
SMILESNC1C=C(N2CCC(C(=O)O)CC2)NC=N1
InChIInChI=1S/C10H16N4O2/c11-8-5-9(13-6-12-8)14-3-1-7(2-4-14)10(15)16/h5-8H,1-4,11H2,(H,12,13)(H,15,16)
InChIKeyVZTJIVOSWDCJQB-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.46
Rot. Bonds2

About 1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid

1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid (PubChem CID 170957541) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid
PubChem CID170957541
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid
SMILESNC1C=C(N2CCC(C(=O)O)CC2)NC=N1
InChIInChI=1S/C10H16N4O2/c11-8-5-9(13-6-12-8)14-3-1-7(2-4-14)10(15)16/h5-8H,1-4,11H2,(H,12,13)(H,15,16)
InChIKeyVZTJIVOSWDCJQB-UHFFFAOYSA-N
XLogP-0.46
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4,5,6-Tetrahydropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 11206611
1-(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136776188
1-(6-Oxo-1,6-dihydropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136854288
4-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136958851
1-(6-Oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid;hydrochloride
CID 139026680

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid (CID 170957541) is 1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid is NC1C=C(N2CCC(C(=O)O)CC2)NC=N1.
What is the InChIKey of 1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid?
The InChIKey is VZTJIVOSWDCJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8-5-9(13-6-12-8)14-3-1-7(2-4-14)10(15)16/h5-8H,1-4,11H2,(H,12,13)(H,15,16).
What are the key properties of 1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid?
1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,4-dihydropyrimidin-6-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 170957541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).