5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H20N4 — CID 167897143

IUPAC5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3CCCc4ccccc43)c12
InChIInChI=1S/C18H20N4/c1-2-12-10-19-17-16(12)18(21-11-20-17)22-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10-11,15H,2,5,7,9H2,1H3,(H2,19,20,21,22)
InChIKeyQPECVJKUVOIUFT-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.01
Rot. Bonds3

About 5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167897143) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167897143
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3CCCc4ccccc43)c12
InChIInChI=1S/C18H20N4/c1-2-12-10-19-17-16(12)18(21-11-20-17)22-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10-11,15H,2,5,7,9H2,1H3,(H2,19,20,21,22)
InChIKeyQPECVJKUVOIUFT-UHFFFAOYSA-N
XLogP4.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167871225
3-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 167991764
5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165086739
9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine
CID 163348579
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 142477727
N,N,5-trimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45249432
5-ethyl-N-(4-methoxy-4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167913724
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165069432
(2R)-1-(1,3-dihydroisoindol-2-yl)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-one
CID 154788265
6-ethyl-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
CID 67072813
[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 26344574

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167897143) is 5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1c[nH]c2ncnc(NC3CCCc4ccccc43)c12.
What is the InChIKey of 5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QPECVJKUVOIUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-12-10-19-17-16(12)18(21-11-20-17)22-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10-11,15H,2,5,7,9H2,1H3,(H2,19,20,21,22).
What are the key properties of 5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 292.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167897143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).