4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid

C11H17N5O2 — CID 114214142

IUPAC4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1NCCN1CCNCC1
InChIInChI=1S/C11H17N5O2/c17-11(18)9-7-13-8-15-10(9)14-3-6-16-4-1-12-2-5-16/h7-8,12H,1-6H2,(H,17,18)(H,13,14,15)
InChIKeyFDBSREYMSPZRBT-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.51
Rot. Bonds5

About 4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid

4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid (PubChem CID 114214142) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid
PubChem CID114214142
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1NCCN1CCNCC1
InChIInChI=1S/C11H17N5O2/c17-11(18)9-7-13-8-15-10(9)14-3-6-16-4-1-12-2-5-16/h7-8,12H,1-6H2,(H,17,18)(H,13,14,15)
InChIKeyFDBSREYMSPZRBT-UHFFFAOYSA-N
XLogP-0.51
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid
CID 107372352
4-[[3-(diethylamino)-3-oxopropyl]amino]pyrimidine-5-carboxylic acid
CID 114214618
4-(1,4-diazepan-1-ylmethyl)pyrimidine-5-carboxylic acid
CID 102974209
4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid
CID 81232397
5-fluoro-6-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 114045681
5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43600388
4-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrimidine-5-carboxylic acid
CID 114214734
4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 28905979
5-bromo-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66339705
4-(2-piperazin-1-ylethylamino)benzoic acid
CID 62230184
3,5-dichloro-N-(2-piperazin-1-ylethyl)pyridin-2-amine
CID 43600403
6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 66325131

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid (CID 114214142) is 4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1NCCN1CCNCC1.
What is the InChIKey of 4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is FDBSREYMSPZRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c17-11(18)9-7-13-8-15-10(9)14-3-6-16-4-1-12-2-5-16/h7-8,12H,1-6H2,(H,17,18)(H,13,14,15).
What are the key properties of 4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid?
4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).