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

C16H20N4 — CID 107385127

IUPACN-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCNC1CCCCc2nc(-c3ncccc3C)ncc21
InChIInChI=1S/C16H20N4/c1-11-6-5-9-18-15(11)16-19-10-12-13(17-2)7-3-4-8-14(12)20-16/h5-6,9-10,13,17H,3-4,7-8H2,1-2H3
InChIKeyVUGRSYMEPZIKIM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.83
Rot. Bonds2

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

N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385127) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385127
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCNC1CCCCc2nc(-c3ncccc3C)ncc21
InChIInChI=1S/C16H20N4/c1-11-6-5-9-18-15(11)16-19-10-12-13(17-2)7-3-4-8-14(12)20-16/h5-6,9-10,13,17H,3-4,7-8H2,1-2H3
InChIKeyVUGRSYMEPZIKIM-UHFFFAOYSA-N
XLogP2.83
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385127) is N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CNC1CCCCc2nc(-c3ncccc3C)ncc21.
What is the InChIKey of N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is VUGRSYMEPZIKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-6-5-9-18-15(11)16-19-10-12-13(17-2)7-3-4-8-14(12)20-16/h5-6,9-10,13,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 268.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).