4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid

C12H17N5O3 — CID 57266753

IUPAC4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid
SMILESNc1ncc(CCC(=O)N2CCN(C(=O)O)CC2)cn1
InChIInChI=1S/C12H17N5O3/c13-11-14-7-9(8-15-11)1-2-10(18)16-3-5-17(6-4-16)12(19)20/h7-8H,1-6H2,(H,19,20)(H2,13,14,15)
InChIKeyHFUIYKCIYJIGPQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.19
Rot. Bonds3

About 4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid

4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid (PubChem CID 57266753) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid
PubChem CID57266753
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid
SMILESNc1ncc(CCC(=O)N2CCN(C(=O)O)CC2)cn1
InChIInChI=1S/C12H17N5O3/c13-11-14-7-9(8-15-11)1-2-10(18)16-3-5-17(6-4-16)12(19)20/h7-8H,1-6H2,(H,19,20)(H2,13,14,15)
InChIKeyHFUIYKCIYJIGPQ-UHFFFAOYSA-N
XLogP-0.19
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N~3~-[(2-amino-5-pyrimidinyl)methyl]-N~1~,N~1~,N~3~-trimethyl-1,3-piperidinedicarboxamide
CID 72902403
4-(4-Acetylpiperazin-1-yl)-5-ethylpyrimidin-2-amine
CID 72903655
6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one
CID 78225824
4,4,4-Trifluoro-1-(4-pyrimidin-5-yl-1-piperidyl)butan-1-one
CID 137509106
3-(Pyrimidin-5-yl)propanamide
CID 91363418
N-(1-propionylpiperidin-4-yl)-5-propylpyrimidin-2-amine
CID 124207034
1-Methyl-4-(5-propylpyrimidin-2-YL)piperazin-2-one
CID 129612994
3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide
CID 164637606
4-[5-(3-Fluoropropyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 68406741
5-Oxo-5-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pentanamide
CID 175386693
4-[5-(2,2,3,3-Tetrafluorocyclopropyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 175735700
4-[5-(1-Fluorocyclopropyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 175735710

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid (CID 57266753) is 4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid is Nc1ncc(CCC(=O)N2CCN(C(=O)O)CC2)cn1.
What is the InChIKey of 4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid?
The InChIKey is HFUIYKCIYJIGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c13-11-14-7-9(8-15-11)1-2-10(18)16-3-5-17(6-4-16)12(19)20/h7-8H,1-6H2,(H,19,20)(H2,13,14,15).
What are the key properties of 4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid?
4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminopyrimidin-5-yl)propanoyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 57266753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).