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

C20H27N7O — CID 19140848

IUPACN'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCC1(C)CC2CC(C)(CN2c2ncnc(NNC(=O)c3ccccn3)c2N)C1
InChIInChI=1S/C20H27N7O/c1-19(2)8-13-9-20(3,10-19)11-27(13)17-15(21)16(23-12-24-17)25-26-18(28)14-6-4-5-7-22-14/h4-7,12-13H,8-11,21H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyXRXXJAQMIRLQID-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.62
Rot. Bonds4

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

N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide (PubChem CID 19140848) has the molecular formula C20H27N7O and a molecular weight of 381.48 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]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
PubChem CID19140848
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC NameN'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCC1(C)CC2CC(C)(CN2c2ncnc(NNC(=O)c3ccccn3)c2N)C1
InChIInChI=1S/C20H27N7O/c1-19(2)8-13-9-20(3,10-19)11-27(13)17-15(21)16(23-12-24-17)25-26-18(28)14-6-4-5-7-22-14/h4-7,12-13H,8-11,21H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyXRXXJAQMIRLQID-UHFFFAOYSA-N
XLogP2.62
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.62
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]-2-methoxybenzohydrazide
CID 19140841
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-(pyridin-3-ylmethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 22542749
ethyl 4-[[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]amino]benzoate
CID 19140791
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19135675
4-N-methyl-4-N-phenyl-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 19140777
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 19140820
N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19139500
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19151979
methyl 2-[[5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]amino]benzoate
CID 23492789
N'-(5-amino-6-cyclohexyloxypyrimidin-4-yl)pyridine-2-carbohydrazide
CID 19152018
N-(2-bromophenyl)-5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-amine
CID 23492805

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]pyridine-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide (CID 19140848) is N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide.
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]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide is CC1(C)CC2CC(C)(CN2c2ncnc(NNC(=O)c3ccccn3)c2N)C1.
What is the InChIKey of N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide?
The InChIKey is XRXXJAQMIRLQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-19(2)8-13-9-20(3,10-19)11-27(13)17-15(21)16(23-12-24-17)25-26-18(28)14-6-4-5-7-22-14/h4-7,12-13H,8-11,21H2,1-3H3,(H,26,28)(H,23,24,25).
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]pyridine-2-carbohydrazide?
N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide has a molecular weight of 381.48 g/mol, XLogP of 2.62, 4 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]pyridine-2-carbohydrazide is sourced from PubChem (CID 19140848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).