2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine

C14H19N5 — CID 116976465

IUPAC2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine
SMILESCC1(C)CNCCN1c1ncc(-c2ccc[nH]2)cn1
InChIInChI=1S/C14H19N5/c1-14(2)10-15-6-7-19(14)13-17-8-11(9-18-13)12-4-3-5-16-12/h3-5,8-9,15-16H,6-7,10H2,1-2H3
InChIKeyGBGMMTBDWJSCSV-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.66
Rot. Bonds2

About 2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine

2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine (PubChem CID 116976465) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine
PubChem CID116976465
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine
SMILESCC1(C)CNCCN1c1ncc(-c2ccc[nH]2)cn1
InChIInChI=1S/C14H19N5/c1-14(2)10-15-6-7-19(14)13-17-8-11(9-18-13)12-4-3-5-16-12/h3-5,8-9,15-16H,6-7,10H2,1-2H3
InChIKeyGBGMMTBDWJSCSV-UHFFFAOYSA-N
XLogP1.66
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine (CID 116976465) is 2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine is CC1(C)CNCCN1c1ncc(-c2ccc[nH]2)cn1.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine?
The InChIKey is GBGMMTBDWJSCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-14(2)10-15-6-7-19(14)13-17-8-11(9-18-13)12-4-3-5-16-12/h3-5,8-9,15-16H,6-7,10H2,1-2H3.
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine?
2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine has a molecular weight of 257.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-5-(1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 116976465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).