2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C16H19BrN4 — CID 107385294

IUPAC2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCNC1CCCCc2nc(-c3cncc(Br)c3)ncc21
InChIInChI=1S/C16H19BrN4/c1-2-19-14-5-3-4-6-15-13(14)10-20-16(21-15)11-7-12(17)9-18-8-11/h7-10,14,19H,2-6H2,1H3
InChIKeyGPMUQYGYKDPBBS-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.68
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385294) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385294
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCNC1CCCCc2nc(-c3cncc(Br)c3)ncc21
InChIInChI=1S/C16H19BrN4/c1-2-19-14-5-3-4-6-15-13(14)10-20-16(21-15)11-7-12(17)9-18-8-11/h7-10,14,19H,2-6H2,1H3
InChIKeyGPMUQYGYKDPBBS-UHFFFAOYSA-N
XLogP3.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008112
N-ethyl-2-(2H-triazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385367
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247
N-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009306
N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385347
2-cyclopentyl-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385325
N-propyl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385465
2-(5-bromothiophen-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008297
N-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009305
N-ethyl-2-(ethylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385270
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009095
N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 114554257

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385294) is 2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CCNC1CCCCc2nc(-c3cncc(Br)c3)ncc21.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is GPMUQYGYKDPBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-2-19-14-5-3-4-6-15-13(14)10-20-16(21-15)11-7-12(17)9-18-8-11/h7-10,14,19H,2-6H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 347.26 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).