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

C17H27N3O — CID 82840279

IUPAC2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCC(C)O2)nc2c1CCCCC2
InChIInChI=1S/C17H27N3O/c1-3-11-18-16-13-7-5-4-6-8-14(13)19-17(20-16)15-10-9-12(2)21-15/h12,15H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyRYWBMCVKXAETPD-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.81
Rot. Bonds4

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

2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 82840279) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID82840279
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCC(C)O2)nc2c1CCCCC2
InChIInChI=1S/C17H27N3O/c1-3-11-18-16-13-7-5-4-6-8-14(13)19-17(20-16)15-10-9-12(2)21-15/h12,15H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyRYWBMCVKXAETPD-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 82840279) is 2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CCCNc1nc(C2CCC(C)O2)nc2c1CCCCC2.
What is the InChIKey of 2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is RYWBMCVKXAETPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-11-18-16-13-7-5-4-6-8-14(13)19-17(20-16)15-10-9-12(2)21-15/h12,15H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyloxolan-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 82840279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).