4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine

C15H19BrN6 — CID 166601436

IUPAC4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(c3ccc(Br)cn3)CC2)n1
InChIInChI=1S/C15H19BrN6/c1-2-17-15-18-6-5-14(20-15)22-9-7-21(8-10-22)13-4-3-12(16)11-19-13/h3-6,11H,2,7-10H2,1H3,(H,17,18,20)
InChIKeyGTUXLXFYWUETTN-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.39
Rot. Bonds4

About 4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine

4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine (PubChem CID 166601436) has the molecular formula C15H19BrN6 and a molecular weight of 363.26 g/mol. Its IUPAC name is 4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
PubChem CID166601436
Molecular FormulaC15H19BrN6
Molecular Weight363.26 g/mol
Exact Mass362.09
IUPAC Name4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(c3ccc(Br)cn3)CC2)n1
InChIInChI=1S/C15H19BrN6/c1-2-17-15-18-6-5-14(20-15)22-9-7-21(8-10-22)13-4-3-12(16)11-19-13/h3-6,11H,2,7-10H2,1H3,(H,17,18,20)
InChIKeyGTUXLXFYWUETTN-UHFFFAOYSA-N
XLogP2.39
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155801027
2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351033
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976450
4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine
CID 80854955
4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80764577
4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 146074375
N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
CID 80851519
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82692303
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine (CID 166601436) is 4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine is CCNc1nccc(N2CCN(c3ccc(Br)cn3)CC2)n1.
What is the InChIKey of 4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine?
The InChIKey is GTUXLXFYWUETTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN6/c1-2-17-15-18-6-5-14(20-15)22-9-7-21(8-10-22)13-4-3-12(16)11-19-13/h3-6,11H,2,7-10H2,1H3,(H,17,18,20).
What are the key properties of 4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine?
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine has a molecular weight of 363.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 166601436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).