2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C12H19N3 — CID 107385123

IUPAC2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCc1ncc2c(n1)CCCCC2NC
InChIInChI=1S/C12H19N3/c1-3-12-14-8-9-10(13-2)6-4-5-7-11(9)15-12/h8,10,13H,3-7H2,1-2H3
InChIKeySTPMJZARTUSJDD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.03
Rot. Bonds2

About 2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385123) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385123
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCc1ncc2c(n1)CCCCC2NC
InChIInChI=1S/C12H19N3/c1-3-12-14-8-9-10(13-2)6-4-5-7-11(9)15-12/h8,10,13H,3-7H2,1-2H3
InChIKeySTPMJZARTUSJDD-UHFFFAOYSA-N
XLogP2.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of 2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385123) is 2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for 2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CCc1ncc2c(n1)CCCCC2NC.
What is the InChIKey of 2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is STPMJZARTUSJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-12-14-8-9-10(13-2)6-4-5-7-11(9)15-12/h8,10,13H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 205.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).