2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C12H19N3O — CID 79616020

IUPAC2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCOC(C)c1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C12H19N3O/c1-8(16-2)12-14-10-7-5-3-4-6-9(10)11(13)15-12/h8H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyDHQVUEQBKHVGAM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.04
Rot. Bonds2

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

2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 79616020) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID79616020
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCOC(C)c1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C12H19N3O/c1-8(16-2)12-14-10-7-5-3-4-6-9(10)11(13)15-12/h8H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyDHQVUEQBKHVGAM-UHFFFAOYSA-N
XLogP2.04
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 79616020) is 2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is COC(C)c1nc(N)c2c(n1)CCCCC2.
What is the InChIKey of 2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is DHQVUEQBKHVGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(16-2)12-14-10-7-5-3-4-6-9(10)11(13)15-12/h8H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 79616020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).