5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H20N4 — CID 165086739

IUPAC5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc2c(c1)CCCC2Nc1ncnc2[nH]cc(C)c12
InChIInChI=1S/C18H20N4/c1-11-6-7-14-13(8-11)4-3-5-15(14)22-18-16-12(2)9-19-17(16)20-10-21-18/h6-10,15H,3-5H2,1-2H3,(H2,19,20,21,22)
InChIKeyFPCFIUZUVCFANC-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.06
Rot. Bonds2

About 5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 165086739) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID165086739
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc2c(c1)CCCC2Nc1ncnc2[nH]cc(C)c12
InChIInChI=1S/C18H20N4/c1-11-6-7-14-13(8-11)4-3-5-15(14)22-18-16-12(2)9-19-17(16)20-10-21-18/h6-10,15H,3-5H2,1-2H3,(H2,19,20,21,22)
InChIKeyFPCFIUZUVCFANC-UHFFFAOYSA-N
XLogP4.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650402
(5R)-5-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162618789
1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650383
N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-6-methylquinazolin-4-amine
CID 123519413
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-6-amine
CID 133446462
N-(1-benzylpiperidin-4-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-methyl-N-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-4-amine
CID 165029602
5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 5357765
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165069432
1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
CID 84717004
1-[(3R)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-ol
CID 118146240
1-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropan-1-amine
CID 83908419

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 165086739) is 5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]cc(C)c12.
What is the InChIKey of 5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FPCFIUZUVCFANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-11-6-7-14-13(8-11)4-3-5-15(14)22-18-16-12(2)9-19-17(16)20-10-21-18/h6-10,15H,3-5H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-methyl-N-(6-methyl-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 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165086739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).