2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C16H19N3 — CID 63351933

IUPAC2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3c(n2)CCCCC3)cc1
InChIInChI=1S/C16H19N3/c1-11-7-9-12(10-8-11)16-18-14-6-4-2-3-5-13(14)15(17)19-16/h7-10H,2-6H2,1H3,(H2,17,18,19)
InChIKeyJYXBXDBKJKXTFY-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.30
Rot. Bonds1

About 2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 63351933) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID63351933
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3c(n2)CCCCC3)cc1
InChIInChI=1S/C16H19N3/c1-11-7-9-12(10-8-11)16-18-14-6-4-2-3-5-13(14)15(17)19-16/h7-10H,2-6H2,1H3,(H2,17,18,19)
InChIKeyJYXBXDBKJKXTFY-UHFFFAOYSA-N
XLogP3.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191740
2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62203690
2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114330940
2-(3-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 105410395
2-(4-cyclopropylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79979881
2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113453444
2-(2-methylquinolin-6-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 105379360
2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62202448
2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63840703
N-cyclopropyl-2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 22143475
2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107922821
4-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-2-fluorophenol
CID 136927531

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 63351933) is 2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3c(n2)CCCCC3)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is JYXBXDBKJKXTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-7-9-12(10-8-11)16-18-14-6-4-2-3-5-13(14)15(17)19-16/h7-10H,2-6H2,1H3,(H2,17,18,19).
What are the key properties of 2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 63351933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).