N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine

C15H20N6 — CID 104532011

IUPACN-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine
SMILESCCNc1cncc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C15H20N6/c1-2-17-13-10-14(12-16-11-13)20-6-8-21(9-7-20)15-18-4-3-5-19-15/h3-5,10-12,17H,2,6-9H2,1H3
InChIKeyUXAOQYJJXUSMOL-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.63
Rot. Bonds4

About N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine

N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine (PubChem CID 104532011) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine
PubChem CID104532011
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine
SMILESCCNc1cncc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C15H20N6/c1-2-17-13-10-14(12-16-11-13)20-6-8-21(9-7-20)15-18-4-3-5-19-15/h3-5,10-12,17H,2,6-9H2,1H3
InChIKeyUXAOQYJJXUSMOL-UHFFFAOYSA-N
XLogP1.63
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-bromo-3-pyridinyl)piperazin-1-yl]pyrimidine
CID 112690429
N-ethyl-5-pyrazol-1-ylpyridin-3-amine
CID 104535894
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181
1-[5-(ethylamino)-3-pyridinyl]-3-methylpiperidin-4-ol
CID 114683895
(4-ethylpiperazin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230456
N-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757593
3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
CID 104534517
2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol
CID 104534823
2-[4-(6-chloro-5-methyl-3-pyridinyl)piperazin-1-yl]pyrimidine
CID 82225033
N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238727
[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109225372
(4-methylpiperidin-1-yl)-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109227055

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine (CID 104532011) is N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine is CCNc1cncc(N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is UXAOQYJJXUSMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-2-17-13-10-14(12-16-11-13)20-6-8-21(9-7-20)15-18-4-3-5-19-15/h3-5,10-12,17H,2,6-9H2,1H3.
What are the key properties of N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine?
N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 284.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 104532011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).