(2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine

C13H19N3 — CID 83862912

IUPAC(2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine
SMILESNCc1nc(C2CC2)nc2c1CCCCC2
InChIInChI=1S/C13H19N3/c14-8-12-10-4-2-1-3-5-11(10)15-13(16-12)9-6-7-9/h9H,1-8,14H2
InChIKeyPXUJVOKCXKMEQZ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.08
Rot. Bonds2

About (2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine

(2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine (PubChem CID 83862912) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine
PubChem CID83862912
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine
SMILESNCc1nc(C2CC2)nc2c1CCCCC2
InChIInChI=1S/C13H19N3/c14-8-12-10-4-2-1-3-5-11(10)15-13(16-12)9-6-7-9/h9H,1-8,14H2
InChIKeyPXUJVOKCXKMEQZ-UHFFFAOYSA-N
XLogP2.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine?
The IUPAC name of (2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine (CID 83862912) is (2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine?
The canonical SMILES for (2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine is NCc1nc(C2CC2)nc2c1CCCCC2.
What is the InChIKey of (2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine?
The InChIKey is PXUJVOKCXKMEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-8-12-10-4-2-1-3-5-11(10)15-13(16-12)9-6-7-9/h9H,1-8,14H2.
What are the key properties of (2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine?
(2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine has a molecular weight of 217.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)methanamine is sourced from PubChem (CID 83862912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).