N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C15H19N5 — CID 63351468

IUPACN-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cnccn2)nc2c1CCCCC2
InChIInChI=1S/C15H19N5/c1-2-17-14-11-6-4-3-5-7-12(11)19-15(20-14)13-10-16-8-9-18-13/h8-10H,2-7H2,1H3,(H,17,19,20)
InChIKeyYHJNJNQQTUMQFE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.63
Rot. Bonds3

About N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 63351468) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID63351468
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cnccn2)nc2c1CCCCC2
InChIInChI=1S/C15H19N5/c1-2-17-14-11-6-4-3-5-7-12(11)19-15(20-14)13-10-16-8-9-18-13/h8-10H,2-7H2,1H3,(H,17,19,20)
InChIKeyYHJNJNQQTUMQFE-UHFFFAOYSA-N
XLogP2.63
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 63351468) is N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CCNc1nc(-c2cnccn2)nc2c1CCCCC2.
What is the InChIKey of N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is YHJNJNQQTUMQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-2-17-14-11-6-4-3-5-7-12(11)19-15(20-14)13-10-16-8-9-18-13/h8-10H,2-7H2,1H3,(H,17,19,20).
What are the key properties of N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 63351468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).