5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine

C19H25N5O2 — CID 5271336

IUPAC5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine
SMILESCOc1cc(OC)cc(N2C3CCC2CC(c2cnc(N)nc2N)C3)c1
InChIInChI=1S/C19H25N5O2/c1-25-15-7-14(8-16(9-15)26-2)24-12-3-4-13(24)6-11(5-12)17-10-22-19(21)23-18(17)20/h7-13H,3-6H2,1-2H3,(H4,20,21,22,23)
InChIKeyJGPAZLDJBCRUKN-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.57
Rot. Bonds4

About 5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine

5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine (PubChem CID 5271336) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine
PubChem CID5271336
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine
SMILESCOc1cc(OC)cc(N2C3CCC2CC(c2cnc(N)nc2N)C3)c1
InChIInChI=1S/C19H25N5O2/c1-25-15-7-14(8-16(9-15)26-2)24-12-3-4-13(24)6-11(5-12)17-10-22-19(21)23-18(17)20/h7-13H,3-6H2,1-2H3,(H4,20,21,22,23)
InChIKeyJGPAZLDJBCRUKN-UHFFFAOYSA-N
XLogP2.57
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine (CID 5271336) is 5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine is COc1cc(OC)cc(N2C3CCC2CC(c2cnc(N)nc2N)C3)c1.
What is the InChIKey of 5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is JGPAZLDJBCRUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-25-15-7-14(8-16(9-15)26-2)24-12-3-4-13(24)6-11(5-12)17-10-22-19(21)23-18(17)20/h7-13H,3-6H2,1-2H3,(H4,20,21,22,23).
What are the key properties of 5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine?
5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 355.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 5271336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).