N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C17H22N4 — CID 107385347

IUPACN-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCNC1CCCCc2nc(-c3cnccc3C)ncc21
InChIInChI=1S/C17H22N4/c1-3-19-15-6-4-5-7-16-14(15)11-20-17(21-16)13-10-18-9-8-12(13)2/h8-11,15,19H,3-7H2,1-2H3
InChIKeyOTMFZAVREAXVTH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.22
Rot. Bonds3

About N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385347) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385347
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCNC1CCCCc2nc(-c3cnccc3C)ncc21
InChIInChI=1S/C17H22N4/c1-3-19-15-6-4-5-7-16-14(15)11-20-17(21-16)13-10-18-9-8-12(13)2/h8-11,15,19H,3-7H2,1-2H3
InChIKeyOTMFZAVREAXVTH-UHFFFAOYSA-N
XLogP3.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine with MolForge

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Related Compounds

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-propyl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385465
N-ethyl-2-(2H-triazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385367
2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385294
2-cyclopentyl-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385325
N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 114554257
2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008112
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385347) is N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CCNC1CCCCc2nc(-c3cnccc3C)ncc21.
What is the InChIKey of N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is OTMFZAVREAXVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-19-15-6-4-5-7-16-14(15)11-20-17(21-16)13-10-18-9-8-12(13)2/h8-11,15,19H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 282.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).