N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide

C15H24N4O — CID 115750983

IUPACN,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide
SMILESCCN(CC)C(=O)CNc1ncnc2c1CCCCC2
InChIInChI=1S/C15H24N4O/c1-3-19(4-2)14(20)10-16-15-12-8-6-5-7-9-13(12)17-11-18-15/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyGOFOVPQRQABMGQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.03
Rot. Bonds5

About N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide

N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide (PubChem CID 115750983) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide
PubChem CID115750983
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide
SMILESCCN(CC)C(=O)CNc1ncnc2c1CCCCC2
InChIInChI=1S/C15H24N4O/c1-3-19(4-2)14(20)10-16-15-12-8-6-5-7-9-13(12)17-11-18-15/h11H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyGOFOVPQRQABMGQ-UHFFFAOYSA-N
XLogP2.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide?
The IUPAC name of N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide (CID 115750983) is N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide?
The canonical SMILES for N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide is CCN(CC)C(=O)CNc1ncnc2c1CCCCC2.
What is the InChIKey of N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide?
The InChIKey is GOFOVPQRQABMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-19(4-2)14(20)10-16-15-12-8-6-5-7-9-13(12)17-11-18-15/h11H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide?
N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)acetamide is sourced from PubChem (CID 115750983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).