1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine

C16H17N5 — CID 157234762

IUPAC1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nc(C2CCCc3ccccc32)c2ncnc(N)c21
InChIInChI=1S/C16H17N5/c1-21-15-14(18-9-19-16(15)17)13(20-21)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3,(H2,17,18,19)
InChIKeyKAWFZNVNQYGTJQ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.41
Rot. Bonds1

About 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine

1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 157234762) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID157234762
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nc(C2CCCc3ccccc32)c2ncnc(N)c21
InChIInChI=1S/C16H17N5/c1-21-15-14(18-9-19-16(15)17)13(20-21)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3,(H2,17,18,19)
InChIKeyKAWFZNVNQYGTJQ-UHFFFAOYSA-N
XLogP2.41
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 157234763
4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole
CID 115395374
5,6-bis[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-2,4-diamine
CID 68967026
6-chloropyrimidine-4,5-diamine;1-methyl-1,2,3,4-tetrahydronaphthalene
CID 142292877
4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 70982416
4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 19849908
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2,4-dimethylpyrazol-3-amine
CID 66396321
(1S)-2-methyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104901605
6-methyl-5-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 63251001
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 91000724
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105106898

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 157234762) is 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine is Cn1nc(C2CCCc3ccccc32)c2ncnc(N)c21.
What is the InChIKey of 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KAWFZNVNQYGTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-21-15-14(18-9-19-16(15)17)13(20-21)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,9,12H,4,6,8H2,1H3,(H2,17,18,19).
What are the key properties of 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine?
1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 279.35 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 157234762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).