6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

C9H12N2 — CID 10654367

IUPAC6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESc1ncc2c(n1)CCCCC2
InChIInChI=1S/C9H12N2/c1-2-4-8-6-10-7-11-9(8)5-3-1/h6-7H,1-5H2
InChIKeyWYANEPDSNWAVNE-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.75
Rot. Bonds

About 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (PubChem CID 10654367) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
PubChem CID10654367
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESc1ncc2c(n1)CCCCC2
InChIInChI=1S/C9H12N2/c1-2-4-8-6-10-7-11-9(8)5-3-1/h6-7H,1-5H2
InChIKeyWYANEPDSNWAVNE-UHFFFAOYSA-N
XLogP1.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6,12-Triazatricyclo(7.2.1.0,2,7)dodeca-2,4,6-triene
CID 44304974
5,6,7,8-Tetrahydroquinazolin-2-amine
CID 224783
Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-
CID 78154
4-(3,3-Dimethylbutyl)-5-methylpyrimidin-2-amine
CID 122516777
2-Methyl-5,6-cyclopentapyrimidine
CID 160264
5,6,7,8-Tetrahydroquinazoline
CID 637537
5H,6H,7H,8H,9H-cyclohepta(d)pyrimidin-2-amine
CID 63547880
5H,6H,7H-cyclopenta(d)pyrimidin-2-amine
CID 231639
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
6-Methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 12450595
2-Methyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
CID 12450612
4-Isobutylpyrimidine
CID 565104

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (CID 10654367) is 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is c1ncc2c(n1)CCCCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The InChIKey is WYANEPDSNWAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-4-8-6-10-7-11-9(8)5-3-1/h6-7H,1-5H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine has a molecular weight of 148.21 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 10654367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).