1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone

C11H15N3O — CID 105457569

IUPAC1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone
SMILESCC(=O)c1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C11H15N3O/c1-7(15)11-13-9-6-4-2-3-5-8(9)10(12)14-11/h2-6H2,1H3,(H2,12,13,14)
InChIKeyUGDFJPKTOKLIOT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.53
Rot. Bonds1

About 1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone

1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone (PubChem CID 105457569) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone
PubChem CID105457569
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone
SMILESCC(=O)c1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C11H15N3O/c1-7(15)11-13-9-6-4-2-3-5-8(9)10(12)14-11/h2-6H2,1H3,(H2,12,13,14)
InChIKeyUGDFJPKTOKLIOT-UHFFFAOYSA-N
XLogP1.53
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone
CID 105463163
5,6,7,8-tetrahydroquinazoline-2,4-diamine;dihydrochloride
CID 141176295
1-(3-amino-5,6,7,8-tetrahydroquinoxalin-2-yl)ethanone
CID 155673544
2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191560
2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
CID 82392376
2-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351933
2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 105476583
2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 79616020
4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
CID 105461530
3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid
CID 105460225
2-[2-(methylamino)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 105476582
2-N,2-N-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 62192419

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone?
The IUPAC name of 1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone (CID 105457569) is 1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone is CC(=O)c1nc(N)c2c(n1)CCCCC2.
What is the InChIKey of 1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone?
The InChIKey is UGDFJPKTOKLIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(15)11-13-9-6-4-2-3-5-8(9)10(12)14-11/h2-6H2,1H3,(H2,12,13,14).
What are the key properties of 1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone?
1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone has a molecular weight of 205.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone is sourced from PubChem (CID 105457569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).