2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile

C14H21N5 — CID 39360440

IUPAC2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
SMILESCCN1CCN(c2nc(C#N)cc(C(C)C)n2)CC1
InChIInChI=1S/C14H21N5/c1-4-18-5-7-19(8-6-18)14-16-12(10-15)9-13(17-14)11(2)3/h9,11H,4-8H2,1-3H3
InChIKeyGSKLRDXDNOSRSK-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.61
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile

2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile (PubChem CID 39360440) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
PubChem CID39360440
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
SMILESCCN1CCN(c2nc(C#N)cc(C(C)C)n2)CC1
InChIInChI=1S/C14H21N5/c1-4-18-5-7-19(8-6-18)14-16-12(10-15)9-13(17-14)11(2)3/h9,11H,4-8H2,1-3H3
InChIKeyGSKLRDXDNOSRSK-UHFFFAOYSA-N
XLogP1.61
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39248129
2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39348452
2-[4-(cyanomethyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107543240
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
CID 122532873
2-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39377350
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine
CID 99827479
1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine
CID 171723333
6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 39347700
1-ethyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
CID 58563451
2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propan-1-amine
CID 82166117
2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile
CID 121206724
4-(4-ethylpiperazin-1-yl)-3-methylbenzonitrile
CID 54934181

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile (CID 39360440) is 2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile is CCN1CCN(c2nc(C#N)cc(C(C)C)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
The InChIKey is GSKLRDXDNOSRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-18-5-7-19(8-6-18)14-16-12(10-15)9-13(17-14)11(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile?
2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 39360440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).