N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H22N4 — CID 167871225

IUPACN-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3CC4c5ccccc5CCC34)c12
InChIInChI=1S/C20H22N4/c1-2-12-10-21-19-18(12)20(23-11-22-19)24-17-9-16-14-6-4-3-5-13(14)7-8-15(16)17/h3-6,10-11,15-17H,2,7-9H2,1H3,(H2,21,22,23,24)
InChIKeyGGWPNCIKHYSBNV-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.05
Rot. Bonds3

About N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167871225) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167871225
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3CC4c5ccccc5CCC34)c12
InChIInChI=1S/C20H22N4/c1-2-12-10-21-19-18(12)20(23-11-22-19)24-17-9-16-14-6-4-3-5-13(14)7-8-15(16)17/h3-6,10-11,15-17H,2,7-9H2,1H3,(H2,21,22,23,24)
InChIKeyGGWPNCIKHYSBNV-UHFFFAOYSA-N
XLogP4.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167897143
3-N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)pyrazine-2,3-diamine
CID 166243715
cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
CID 167830463
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)isoquinolin-1-amine
CID 166382956
3-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 167991764
(2R)-1-(1,3-dihydroisoindol-2-yl)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-one
CID 154788265
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-7-chloroisoquinolin-1-amine
CID 166382963
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-methoxyisoquinolin-1-amine
CID 167801144
N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167960214
5-ethyl-N-(4-methoxy-4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167913724
5-ethyl-N-(1-methoxypiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167933059
5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167799843

Frequently Asked Questions

What is the IUPAC name of N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167871225) is N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1c[nH]c2ncnc(NC3CC4c5ccccc5CCC34)c12.
What is the InChIKey of N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GGWPNCIKHYSBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-2-12-10-21-19-18(12)20(23-11-22-19)24-17-9-16-14-6-4-3-5-13(14)7-8-15(16)17/h3-6,10-11,15-17H,2,7-9H2,1H3,(H2,21,22,23,24).
What are the key properties of N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 318.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167871225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).