8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C19H24N4O — CID 16668051

IUPAC8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(C2(O)CC3CCC(C2)N3c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C19H24N4O/c1-12-3-5-14(6-4-12)19(24)10-15-7-8-16(11-19)23(15)17-9-13(2)21-18(20)22-17/h3-6,9,15-16,24H,7-8,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyOSUYAHROIGVMQS-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.69
Rot. Bonds2

About 8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 16668051) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID16668051
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1ccc(C2(O)CC3CCC(C2)N3c2cc(C)nc(N)n2)cc1
InChIInChI=1S/C19H24N4O/c1-12-3-5-14(6-4-12)19(24)10-15-7-8-16(11-19)23(15)17-9-13(2)21-18(20)22-17/h3-6,9,15-16,24H,7-8,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyOSUYAHROIGVMQS-UHFFFAOYSA-N
XLogP2.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

1-[4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)phenyl]ethan-1-ol
CID 11523411
3-(4-Fluorophenyl)-8-(6-methyl-2-phenylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 653235
8-(4-Methylpyrimidin-2-yl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 3228658
4-(4-Fluorophenyl)-1-(4-methylpyrimidin-2-YL)piperidin-4-OL
CID 72851395
4-(4-Fluorophenyl)-1-(2,5,6-trimethylpyrimidin-4-YL)piperidin-4-OL
CID 72879432
3-(4-Fluorophenyl)-8-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 3228660
2-[3-(4-Fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-4,6-dimethylpyrid ine-3-carbonitrile
CID 6484053
1-[6-(2-Aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol
CID 56708909
1-[6-(Aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
CID 56709031
1-[6-(2-Aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
CID 56710901
[4-(2-Methyl-6-piperidin-4-ylpyrimidin-4-yl)phenyl]methanol
CID 95825445
[1-(2,6-Dimethylpyrimidin-4-yl)piperidin-4-yl]-diphenylmethanol
CID 3228642

Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 16668051) is 8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is Cc1ccc(C2(O)CC3CCC(C2)N3c2cc(C)nc(N)n2)cc1.
What is the InChIKey of 8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is OSUYAHROIGVMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12-3-5-14(6-4-12)19(24)10-15-7-8-16(11-19)23(15)17-9-13(2)21-18(20)22-17/h3-6,9,15-16,24H,7-8,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 324.43 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-6-methylpyrimidin-4-yl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 16668051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).