2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C14H21N3 — CID 107925606

IUPAC2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCC1(C)CC1c1ncc2c(n1)CCCCC2N
InChIInChI=1S/C14H21N3/c1-14(2)7-10(14)13-16-8-9-11(15)5-3-4-6-12(9)17-13/h8,10-11H,3-7,15H2,1-2H3
InChIKeyUGVTXIIZCXSYAJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.72
Rot. Bonds1

About 2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107925606) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107925606
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCC1(C)CC1c1ncc2c(n1)CCCCC2N
InChIInChI=1S/C14H21N3/c1-14(2)7-10(14)13-16-8-9-11(15)5-3-4-6-12(9)17-13/h8,10-11H,3-7,15H2,1-2H3
InChIKeyUGVTXIIZCXSYAJ-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107925606) is 2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CC1(C)CC1c1ncc2c(n1)CCCCC2N.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is UGVTXIIZCXSYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(2)7-10(14)13-16-8-9-11(15)5-3-4-6-12(9)17-13/h8,10-11H,3-7,15H2,1-2H3.
What are the key properties of 2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 231.34 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107925606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).