2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid

C18H22N4O2 — CID 91888334

IUPAC2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1nc(N2CCN(c3ccccc3)CC2)ncc1C(=O)O
InChIInChI=1S/C18H22N4O2/c1-13(2)16-15(17(23)24)12-19-18(20-16)22-10-8-21(9-11-22)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,24)
InChIKeyDFRMAJXSCIHEHP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.62
Rot. Bonds4

About 2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid

2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid (PubChem CID 91888334) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
PubChem CID91888334
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)c1nc(N2CCN(c3ccccc3)CC2)ncc1C(=O)O
InChIInChI=1S/C18H22N4O2/c1-13(2)16-15(17(23)24)12-19-18(20-16)22-10-8-21(9-11-22)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,24)
InChIKeyDFRMAJXSCIHEHP-UHFFFAOYSA-N
XLogP2.62
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143912
(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-[4-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 135144580
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
2-morpholin-4-yl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 70493493
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
2-[4-(3-chlorophenyl)piperazin-1-yl]-4-methoxy-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42847751
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112882012
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83178302
2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine
CID 46259287

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid (CID 91888334) is 2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid is CC(C)c1nc(N2CCN(c3ccccc3)CC2)ncc1C(=O)O.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is DFRMAJXSCIHEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)16-15(17(23)24)12-19-18(20-16)22-10-8-21(9-11-22)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 91888334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).