2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C14H17N5O — CID 103374994

IUPAC2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c3c(n2)CCCCC3)nn1
InChIInChI=1S/C14H17N5O/c1-20-12-8-7-11(18-19-12)14-16-10-6-4-2-3-5-9(10)13(15)17-14/h7-8H,2-6H2,1H3,(H2,15,16,17)
InChIKeyAFENDBWBSDHGOC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.79
Rot. Bonds2

About 2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 103374994) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID103374994
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c3c(n2)CCCCC3)nn1
InChIInChI=1S/C14H17N5O/c1-20-12-8-7-11(18-19-12)14-16-10-6-4-2-3-5-9(10)13(15)17-14/h7-8H,2-6H2,1H3,(H2,15,16,17)
InChIKeyAFENDBWBSDHGOC-UHFFFAOYSA-N
XLogP1.79
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351933
5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
CID 103375014
6-ethyl-2-(6-methoxypyridazin-3-yl)-5-methylpyrimidin-4-amine
CID 103375000
5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
CID 103375038
2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 79616020
2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103374942
2-(2-methylfuran-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 113453444
2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63840703
2-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107922821
2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351905
2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62202448
2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191740

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 103374994) is 2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is COc1ccc(-c2nc(N)c3c(n2)CCCCC3)nn1.
What is the InChIKey of 2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is AFENDBWBSDHGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-20-12-8-7-11(18-19-12)14-16-10-6-4-2-3-5-9(10)13(15)17-14/h7-8H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of 2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 103374994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).