8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

C25H29N5 — CID 133322576

IUPAC8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cc(N(C)C2CC3CCC(C2)N3Cc2ccccc2)nc(-c2cccnc2)n1
InChIInChI=1S/C25H29N5/c1-18-13-24(28-25(27-18)20-9-6-12-26-16-20)29(2)23-14-21-10-11-22(15-23)30(21)17-19-7-4-3-5-8-19/h3-9,12-13,16,21-23H,10-11,14-15,17H2,1-2H3
InChIKeyOIIPTQRZKKCFGH-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.48
Rot. Bonds5

About 8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 133322576) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID133322576
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cc(N(C)C2CC3CCC(C2)N3Cc2ccccc2)nc(-c2cccnc2)n1
InChIInChI=1S/C25H29N5/c1-18-13-24(28-25(27-18)20-9-6-12-26-16-20)29(2)23-14-21-10-11-22(15-23)30(21)17-19-7-4-3-5-8-19/h3-9,12-13,16,21-23H,10-11,14-15,17H2,1-2H3
InChIKeyOIIPTQRZKKCFGH-UHFFFAOYSA-N
XLogP4.48
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylhydroxylamine
CID 143720504
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 59340680
2-methyl-3-[methyl-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanoic acid
CID 122064930
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-methylpyrimidin-2-yl)methanone
CID 171950606
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584
N-(1-benzylsulfonylpiperidin-4-yl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133306515
2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-propylamino]acetic acid
CID 122051516
3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 175732632
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879
N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 50983555

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 133322576) is 8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1cc(N(C)C2CC3CCC(C2)N3Cc2ccccc2)nc(-c2cccnc2)n1.
What is the InChIKey of 8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is OIIPTQRZKKCFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5/c1-18-13-24(28-25(27-18)20-9-6-12-26-16-20)29(2)23-14-21-10-11-22(15-23)30(21)17-19-7-4-3-5-8-19/h3-9,12-13,16,21-23H,10-11,14-15,17H2,1-2H3.
What are the key properties of 8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 399.54 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-N-methyl-N-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 133322576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).