4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

C19H27N7 — CID 112858073

IUPAC4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESCCN1CCN(c2cc(N3CCN(c4ccccn4)CC3)ncn2)CC1
InChIInChI=1S/C19H27N7/c1-2-23-7-9-25(10-8-23)18-15-19(22-16-21-18)26-13-11-24(12-14-26)17-5-3-4-6-20-17/h3-6,15-16H,2,7-14H2,1H3
InChIKeyNOACCQXKLGRULJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.34
Rot. Bonds4

About 4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 112858073) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID112858073
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESCCN1CCN(c2cc(N3CCN(c4ccccn4)CC3)ncn2)CC1
InChIInChI=1S/C19H27N7/c1-2-23-7-9-25(10-8-23)18-15-19(22-16-21-18)26-13-11-24(12-14-26)17-5-3-4-6-20-17/h3-6,15-16H,2,7-14H2,1H3
InChIKeyNOACCQXKLGRULJ-UHFFFAOYSA-N
XLogP1.34
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine with MolForge

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Related Compounds

ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane
CID 171069989
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873
2-[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112858045
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112862654
N-(4-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863306
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
N,N-diethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858075
3-(4-ethylpiperazin-1-yl)isoquinoline;hydrochloride
CID 70138752
6-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyrimidin-4-amine
CID 112858117
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (CID 112858073) is 4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is CCN1CCN(c2cc(N3CCN(c4ccccn4)CC3)ncn2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is NOACCQXKLGRULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-2-23-7-9-25(10-8-23)18-15-19(22-16-21-18)26-13-11-24(12-14-26)17-5-3-4-6-20-17/h3-6,15-16H,2,7-14H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 353.47 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 112858073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).