6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine

C11H12N2 — CID 155186344

IUPAC6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine
SMILESc1ncc2c(n1)CC1=C2CCCC1
InChIInChI=1S/C11H12N2/c1-2-4-9-8(3-1)5-11-10(9)6-12-7-13-11/h6-7H,1-5H2
InChIKeyARDYWCQPKROBQU-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.36
Rot. Bonds

About 6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine

6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine (PubChem CID 155186344) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine
PubChem CID155186344
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine
SMILESc1ncc2c(n1)CC1=C2CCCC1
InChIInChI=1S/C11H12N2/c1-2-4-9-8(3-1)5-11-10(9)6-12-7-13-11/h6-7H,1-5H2
InChIKeyARDYWCQPKROBQU-UHFFFAOYSA-N
XLogP2.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 141121486
ethane;5-methylidene-7,8-dihydro-6H-quinazoline
CID 143340702
7-methylidene-8H-pyrido[4,3-d]pyrimidin-5-amine
CID 58429769
manganese;2,3,4,5,6,7,8,9-octahydro-1H-fluorene
CID 174386744
6,7,8,9,10,11,12,13,14,15-decahydro-5H-cyclododeca[a]indene
CID 14952510
(9aS)-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinazoline
CID 89116853
7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one
CID 82417594
methanol;2,3,4,9-tetrahydro-1H-fluorene
CID 172707139
4,6,12-triazatricyclo[7.2.1.02,7]dodeca-1(11),2,4,6,9-pentaene-12-carboxylic acid
CID 172753971
5,7-dihydrocyclopenta[d]pyrimidin-6-one
CID 158368884
6-tert-butyl-7H-cyclopenta[d]pyrimidine
CID 159135744
6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine
CID 67414259

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine (CID 155186344) is 6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine is c1ncc2c(n1)CC1=C2CCCC1.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine?
The InChIKey is ARDYWCQPKROBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-4-9-8(3-1)5-11-10(9)6-12-7-13-11/h6-7H,1-5H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine?
6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidine has a molecular weight of 172.23 g/mol, XLogP of 2.36, 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-indeno[2,1-d]pyrimidine is sourced from PubChem (CID 155186344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).