2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C17H27N3O — CID 107385419

IUPAC2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCCNC1CCCCc2nc(CC3CCCO3)ncc21
InChIInChI=1S/C17H27N3O/c1-2-9-18-15-7-3-4-8-16-14(15)12-19-17(20-16)11-13-6-5-10-21-13/h12-13,15,18H,2-11H2,1H3
InChIKeyPIDHNEJNDDMCQI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.97
Rot. Bonds5

About 2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385419) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385419
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCCNC1CCCCc2nc(CC3CCCO3)ncc21
InChIInChI=1S/C17H27N3O/c1-2-9-18-15-7-3-4-8-16-14(15)12-19-17(20-16)11-13-6-5-10-21-13/h12-13,15,18H,2-11H2,1H3
InChIKeyPIDHNEJNDDMCQI-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of 2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385419) is 2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CCCNC1CCCCc2nc(CC3CCCO3)ncc21.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is PIDHNEJNDDMCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-9-18-15-7-3-4-8-16-14(15)12-19-17(20-16)11-13-6-5-10-21-13/h12-13,15,18H,2-11H2,1H3.
What are the key properties of 2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 289.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).