4,7-dihydro-1H-cyclohepta[d]pyrimidine

C9H10N2 — CID 142271075

IUPAC4,7-dihydro-1H-cyclohepta[d]pyrimidine
SMILESC1=CC2=C(C=CC1)NC=NC2
InChIInChI=1S/C9H10N2/c1-2-4-8-6-10-7-11-9(8)5-3-1/h2-5,7H,1,6H2,(H,10,11)
InChIKeyOPLPAVRFOYSMSQ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.39
Rot. Bonds

About 4,7-dihydro-1H-cyclohepta[d]pyrimidine

4,7-dihydro-1H-cyclohepta[d]pyrimidine (PubChem CID 142271075) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4,7-dihydro-1H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Name4,7-dihydro-1H-cyclohepta[d]pyrimidine
PubChem CID142271075
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4,7-dihydro-1H-cyclohepta[d]pyrimidine
SMILESC1=CC2=C(C=CC1)NC=NC2
InChIInChI=1S/C9H10N2/c1-2-4-8-6-10-7-11-9(8)5-3-1/h2-5,7H,1,6H2,(H,10,11)
InChIKeyOPLPAVRFOYSMSQ-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydro-1H-cyclohepta[d]pyrimidine?
The IUPAC name of 4,7-dihydro-1H-cyclohepta[d]pyrimidine (CID 142271075) is 4,7-dihydro-1H-cyclohepta[d]pyrimidine.
What is the SMILES notation for 4,7-dihydro-1H-cyclohepta[d]pyrimidine?
The canonical SMILES for 4,7-dihydro-1H-cyclohepta[d]pyrimidine is C1=CC2=C(C=CC1)NC=NC2.
What is the InChIKey of 4,7-dihydro-1H-cyclohepta[d]pyrimidine?
The InChIKey is OPLPAVRFOYSMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-4-8-6-10-7-11-9(8)5-3-1/h2-5,7H,1,6H2,(H,10,11).
What are the key properties of 4,7-dihydro-1H-cyclohepta[d]pyrimidine?
4,7-dihydro-1H-cyclohepta[d]pyrimidine has a molecular weight of 146.19 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydro-1H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 142271075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).