N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide

C22H30N6O2 — CID 19140841

IUPACN'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(N2CC3(C)CC2CC(C)(C)C3)c1N
InChIInChI=1S/C22H30N6O2/c1-21(2)9-14-10-22(3,11-21)12-28(14)19-17(23)18(24-13-25-19)26-27-20(29)15-7-5-6-8-16(15)30-4/h5-8,13-14H,9-12,23H2,1-4H3,(H,27,29)(H,24,25,26)
InChIKeySVOIPCWWKNTUPW-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.23
Rot. Bonds5

About N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide

N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide (PubChem CID 19140841) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide
PubChem CID19140841
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC NameN'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide
SMILESCOc1ccccc1C(=O)NNc1ncnc(N2CC3(C)CC2CC(C)(C)C3)c1N
InChIInChI=1S/C22H30N6O2/c1-21(2)9-14-10-22(3,11-21)12-28(14)19-17(23)18(24-13-25-19)26-27-20(29)15-7-5-6-8-16(15)30-4/h5-8,13-14H,9-12,23H2,1-4H3,(H,27,29)(H,24,25,26)
InChIKeySVOIPCWWKNTUPW-UHFFFAOYSA-N
XLogP3.23
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19140848
N'-(5-amino-6-morpholin-4-ylpyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19137718
4-N-(3-methoxypropyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 19140775
N'-(5-amino-6-chloropyrimidin-4-yl)-2-methoxybenzohydrazide
CID 23477575
N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19144360
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19145725
N'-[5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]furan-2-carbohydrazide
CID 23492854
4-N-[(2-chlorophenyl)methyl]-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 19140895
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2-methoxybenzohydrazide
CID 19151456
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151468
(2-methoxyphenyl)-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 751628
4-N-(pyridin-3-ylmethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 22542749

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide?
The IUPAC name of N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide (CID 19140841) is N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide is COc1ccccc1C(=O)NNc1ncnc(N2CC3(C)CC2CC(C)(C)C3)c1N.
What is the InChIKey of N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide?
The InChIKey is SVOIPCWWKNTUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-21(2)9-14-10-22(3,11-21)12-28(14)19-17(23)18(24-13-25-19)26-27-20(29)15-7-5-6-8-16(15)30-4/h5-8,13-14H,9-12,23H2,1-4H3,(H,27,29)(H,24,25,26).
What are the key properties of N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide?
N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide has a molecular weight of 410.52 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide is sourced from PubChem (CID 19140841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).